NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4261 8.3349 116.7920 58.6235 65.2341 174.3058 3 H 4.3669 7.8695 117.8590 54.2713 29.3161 174.0481 4 P 4.2762 0.0000 0.0000 65.3950 32.2396 178.2109 5 D 4.4587 8.1346 117.2468 56.4655 40.6809 177.8315 6 L 3.9566 8.0397 121.8857 58.3317 41.9273 178.5342 7 N 4.3242 7.9725 115.8953 56.4126 38.5000 177.2658 8 K 3.9084 7.9018 119.1890 59.4173 32.0904 178.8009 9 L 4.0429 7.9452 119.8852 58.5020 41.7331 178.9203 10 L 4.0973 7.8179 117.1437 57.9467 41.5980 179.1484 11 E 4.1926 8.1090 117.7392 59.3730 29.7141 178.9967 12 L 4.2778 8.3566 119.0677 56.9049 41.7109 178.8027 13 W 4.2048 8.6563 129.0988 60.4299 30.6481 176.0711 14 P 4.1580 0.0000 0.0000 66.0757 30.6937 178.2175 15 H 4.2634 8.2038 114.8461 58.5373 28.6190 177.9332 16 I 3.5857 7.2286 121.4207 64.1713 36.8601 178.0077 17 Q 3.6530 7.4541 120.5396 59.0304 28.7254 178.1366 18 E 3.9017 7.9517 119.4359 59.3810 29.4183 178.6792 19 Y 3.9916 7.8527 119.6862 60.6997 38.8704 177.9020 20 Q 3.7251 8.0975 120.5003 59.0481 28.9879 177.7943 21 D 4.2830 8.2653 120.3014 57.3695 40.5840 178.5592 22 L 3.8722 8.1093 120.7801 58.0417 41.9792 178.8295 23 A 3.6957 7.7672 120.7098 55.0774 18.2694 179.5089 24 L 3.9698 7.9123 117.4380 57.9832 41.5030 179.8994 25 K 4.1097 7.7026 116.9540 58.5043 31.9216 178.0127 26 H 4.7787 7.3120 114.5394 54.9147 29.1162 174.8075 27 G 3.7607 7.8855 108.3129 45.9489 0.0000 173.7114 28 I 4.3057 7.5460 120.6371 59.0671 37.9905 175.6120 29 N 4.3732 8.7946 124.1227 55.6249 38.9371 175.2688 30 D 4.5226 7.7255 118.0596 52.1721 43.4676 175.6110 31 I 3.7603 8.5752 121.6813 63.4816 37.6836 177.3916 32 F 5.0134 8.4107 118.9973 57.3730 38.9084 175.2779 33 Q 4.6109 7.7673 119.2521 55.3292 32.4114 174.5542 34 D 4.4458 9.6296 117.9827 55.6628 38.7101 173.9925 35 N 4.2345 8.3096 111.2122 54.4066 36.6412 176.5530 36 G 4.0198 8.3350 107.7213 48.3743 0.0000 176.5670 37 G 3.9079 7.9715 106.6346 46.4940 0.0000 175.6654 38 K 4.2644 8.1720 121.3484 59.3393 32.3079 178.8101 39 L 4.0746 7.9260 120.0680 58.2285 41.8442 178.4732 40 L 3.8593 7.8822 119.9785 58.2237 41.9075 178.9591 41 Q 3.9690 8.0309 117.4329 58.9410 28.6134 179.0542 42 V 3.4250 7.7622 118.5613 65.9203 31.5584 177.7514 43 L 3.8934 7.7630 118.6066 58.0012 41.2848 179.6826 44 L 3.8851 7.7078 117.3895 57.6750 41.5384 179.3353 45 I 3.8688 7.4709 119.4063 64.0019 37.2366 177.8454 46 T 4.1957 7.9928 109.0278 61.6054 69.0436 175.7263 47 G 3.8315 7.9764 109.4552 46.1755 0.0000 173.4490 48 L 4.4970 7.2547 118.2252 53.9471 43.3539 176.1673 49 T 4.7421 8.6088 118.0323 61.6451 70.7817 174.9448 50 V 4.2357 8.4577 125.5973 61.7192 32.6903 175.1477 51 L 4.8606 8.3959 122.4230 51.8335 43.9726 174.5790 52 P 3.7887 0.0000 0.0000 65.0280 31.0816 177.4526 53 G 3.4398 8.1297 108.5378 45.4648 0.0000 173.8832 *56 G 3.9524 8.1139 117.5194 44.7078 0.0000 172.5498 57 N 4.4232 8.8160 121.7537 54.0520 39.0784 174.1714 58 D 4.9480 8.9827 120.3870 54.6829 43.5938 175.6220 59 A 5.2668 7.7361 118.8530 50.9431 23.1364 175.0935 60 V 5.1829 8.8707 117.8644 60.5483 35.5540 174.6311 61 D 5.0855 8.8600 122.6454 51.9478 41.9109 176.7776 62 N 4.4313 8.9857 114.7414 55.4131 38.4975 175.8261 63 A 4.4720 8.5925 120.6294 51.6008 19.1480 177.8521 64 G 3.8902 8.1704 104.9818 46.0402 0.0000 173.6901 65 Q 4.1444 8.0029 122.1114 55.5851 29.9864 174.8606 66 E 5.0081 8.5683 125.8782 55.9655 31.2108 175.1755 67 Y 4.9576 9.1224 118.9656 56.3520 42.9858 173.7563 68 E 4.6058 8.4951 122.3544 54.4928 31.5617 174.3332 69 L 5.0242 9.2484 129.0202 53.1579 44.4008 175.5557 70 K 4.9548 8.5828 125.0611 54.8400 36.0652 175.2350 71 S 6.1592 9.0087 115.5023 57.5755 66.2631 172.8170 72 I 4.6541 8.6128 112.8146 59.9411 41.3322 173.1188 73 N 5.2037 8.6545 122.0947 52.0925 39.2946 174.7962 74 I 3.8224 8.7082 128.8141 64.1800 37.8914 176.7803 75 D 4.5434 8.7919 121.1643 56.3498 40.9289 177.1942 76 L 4.4196 7.9519 117.8257 55.8271 42.6224 175.9994 77 T 4.4645 7.2934 110.1221 61.3574 70.0742 172.4447 78 K 4.5523 8.5588 121.5361 55.7055 34.2648 175.6261 79 G 4.4078 7.9542 107.0798 44.3153 0.0000 173.0461 80 F 4.6719 9.2256 124.1790 57.4533 40.2634 175.7330 81 S 4.5742 8.9297 119.1757 59.6033 63.7880 172.9994 82 T 4.6012 10.0236 109.4502 61.9918 70.4190 173.8814 83 H 4.8400 8.2455 116.7667 54.0801 33.9332 173.5363 84 H 4.3821 8.6214 121.8445 58.1724 29.5168 175.3525 85 H 5.0583 8.1208 115.1855 54.5582 29.5552 173.2901 86 M 4.1433 7.8384 117.3474 54.6472 32.8659 176.0737 87 N 4.7359 7.8303 117.5395 49.8932 40.7126 172.6550 88 P 4.0911 0.0000 0.0000 65.5917 31.0474 178.9987 89 V 3.4007 7.3489 116.7722 65.9967 31.5658 177.8395 90 I 3.3475 7.5791 119.4896 64.3718 36.8875 178.4402 91 I 3.5831 7.5568 120.2333 64.3419 36.6977 178.3085 92 A 3.9554 7.6467 120.4709 54.9542 18.4712 179.6618 93 K 4.0571 7.8509 116.9303 59.9256 31.6946 179.1004 94 Y 4.7232 8.0404 117.1070 61.4970 37.6065 179.0035 95 R 4.1991 7.8885 117.4339 58.5908 30.1931 178.3779 96 Q 4.2796 8.0051 116.9465 56.4653 29.2059 176.1467 97 V 4.5434 6.9344 111.3862 58.3709 35.4288 173.4686 98 P 4.9267 0.0000 0.0000 62.7389 33.2021 174.7257 99 W 5.2735 9.5068 119.9314 55.0069 32.7974 174.7238 100 I 4.8966 8.7063 124.5728 59.6631 39.2159 174.4683 101 F 5.0726 9.7531 126.3976 55.6801 41.2591 174.3557 102 A 4.9327 9.3353 126.8472 50.2820 21.2903 175.2899 103 I 4.8578 8.8395 124.1044 59.9970 39.5626 174.6487 104 Y 5.0382 9.1408 125.0449 56.3031 41.2846 175.3162 105 R 4.5952 9.1197 122.2278 54.8254 32.5769 176.9875 106 G 4.0406 9.3485 120.4584 46.7052 0.0000 174.2178 107 I 4.2056 8.8535 118.0568 60.1602 38.9345 175.0315 108 A 4.9553 7.6733 125.8383 50.3001 20.4019 176.5798 109 I 4.0206 8.3520 115.8065 60.9823 38.4194 175.2282 110 E 4.6718 9.5216 124.7421 57.7410 31.1964 175.5879 111 A 5.0011 7.6565 118.2296 50.9915 23.1865 175.1217 112 I 5.1039 9.0270 119.9678 59.9209 41.2349 174.3672 113 Y 5.2666 9.3949 124.1558 56.1115 42.0105 174.4707 114 R 5.3108 9.1216 122.0053 54.7012 33.2175 174.3118 115 L 5.3018 9.1836 125.2534 53.1576 45.7461 175.9804 116 E 4.8053 9.7968 122.1365 54.6332 31.6388 175.5306 117 P 4.3574 0.0000 0.0000 66.0609 31.0495 178.8232 118 K 3.9024 8.1011 116.7630 59.5138 32.1499 177.7762 119 D 4.5272 8.0474 117.3086 55.4554 41.2303 177.2683 120 L 4.4007 7.6522 118.3078 54.1151 42.6889 177.8634 121 E 3.9478 7.9295 119.4501 59.1753 29.0666 178.4533 122 F 3.8064 8.0698 120.3535 61.4907 39.1767 176.6328 123 Y 3.0045 7.1630 115.3227 60.3853 37.7380 177.0933 124 Y 4.5235 7.0312 117.6100 61.5162 38.0493 178.6906 125 D 4.3560 8.1145 119.4961 57.1934 40.9003 178.8200 126 K 3.8127 7.1855 119.6752 59.3680 31.9471 178.9590 127 W 4.5694 8.1349 118.3971 59.6420 29.2426 177.9438 128 E 4.3098 8.7274 119.4593 59.5836 29.1843 178.8268 129 R 4.0406 8.2372 118.0962 59.5548 30.1239 178.9862 130 K 4.0687 8.3461 119.1080 59.0531 32.1604 178.6712 131 W 4.0955 8.3902 128.9109 60.8358 30.4584 177.6578 132 Y 3.8109 8.4262 114.8874 60.7544 37.7062 177.4062 133 S 4.2848 8.4528 116.2289 62.0359 63.0732 176.0899 134 D 4.2772 8.1553 115.5618 55.0066 40.6032 176.2733 135 G 3.3540 7.5399 106.4275 47.8950 0.0000 173.8643 136 H 2.0000 7.1799 112.8612 56.0399 27.3600 175.9627 137 K 4.3828 6.5263 116.0873 54.3899 34.8277 175.8006 138 D 4.9904 8.9142 122.9268 55.2507 41.7591 176.2091 139 I 4.0538 8.5675 123.8754 60.9927 38.7099 175.1033 140 N 4.7262 8.9459 125.9767 52.8505 37.9889 173.5541 141 N 4.6605 8.6392 121.6887 52.4499 37.0930 171.7311 142 P 4.4997 0.0000 0.0000 62.5550 32.7182 177.1654 143 K 4.9509 8.6228 120.0486 55.0212 35.1887 175.6151 144 I 4.1612 8.3894 123.2944 58.5611 39.0634 174.0359 145 P 4.7283 0.0000 0.0000 62.5578 32.0650 177.6477 146 V 3.7898 8.5875 120.2388 66.1875 31.3720 178.7313 147 K 3.8919 8.0371 117.9179 59.4659 31.8982 178.4376 148 Y 3.8849 7.9510 119.3057 60.8307 38.8227 178.4471 149 V 3.3559 7.4891 113.2054 64.4816 31.2784 178.5388 150 M 3.0968 7.6407 117.7113 57.7114 31.7426 178.1312 151 E 3.9979 7.6961 117.9961 58.4738 29.9300 177.7315 152 H 4.5973 7.6058 113.9767 54.9672 29.6697 175.4195 153 G 4.0711 7.2186 109.6462 44.6038 0.0000 172.8847 154 T 4.4964 8.6707 116.7455 61.8746 70.1749 174.4608 155 K 4.1185 8.7403 128.8753 56.0196 31.9071 176.1364 156 I 4.1471 8.3648 122.3851 62.2576 39.2602 175.4851 157 Y 4.2292 7.4005 128.1476 57.6610 38.9664 174.1561 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 2 S 8.33 4.43 0.00 3.81 3.94 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 3 H 7.87 4.37 0.00 3.29 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.28 0.00 2.17 2.11 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 5 D 8.13 4.46 0.00 2.66 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 6 L 8.04 3.96 0.00 1.83 1.75 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.97 4.32 0.00 2.85 2.88 0.00 0.00 7.02 8.43 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 8 K 7.90 3.91 0.00 2.03 1.89 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.61 7.81 9 L 7.95 4.04 0.00 1.79 1.97 1.04 0.58 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 10 L 7.82 4.10 0.00 1.89 1.77 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.11 4.19 0.00 2.17 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 2.38 2.56 0.00 12 L 8.36 4.28 0.00 1.95 1.78 0.96 0.64 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 13 W 8.66 4.20 0.00 3.65 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 14 P 0.00 4.16 0.00 2.05 2.05 0.00 3.85 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 15 H 8.20 4.26 0.00 3.32 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.23 3.59 1.24 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 1.54 0.54 0.47 0.00 0.00 17 Q 7.45 3.65 0.00 1.66 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 18 E 7.95 3.90 0.00 2.25 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 19 Y 7.85 3.99 0.00 3.10 3.01 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 20 Q 8.10 3.73 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 21 D 8.27 4.28 0.00 2.89 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 22 L 8.11 3.87 0.00 1.74 1.66 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.77 3.70 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 24 L 7.91 3.97 0.00 1.83 1.69 0.88 0.67 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 25 K 7.70 4.11 0.00 1.79 1.75 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.58 7.81 26 H 7.31 4.78 0.00 3.18 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.55 4.31 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.89 0.00 0.00 29 N 8.79 4.37 0.00 2.69 2.86 0.00 0.00 6.85 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 30 D 7.73 4.52 0.00 2.61 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 31 I 8.58 3.76 1.78 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.36 0.69 0.00 0.00 32 F 8.41 5.01 0.00 3.23 3.01 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 33 Q 7.77 4.61 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.22 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 34 D 9.63 4.45 0.00 2.76 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 35 N 8.31 4.23 0.00 2.86 2.77 0.00 0.00 6.83 7.58 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 36 G 8.33 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 0.00 0.00 0.00 37 G 7.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.17 4.26 0.00 1.72 1.08 0.00 1.51 0.00 0.00 0.75 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.31 7.81 39 L 7.93 4.07 0.00 1.77 1.82 0.95 0.50 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 40 L 7.88 3.86 0.00 1.65 1.54 0.68 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.03 3.97 0.00 2.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 42 V 7.76 3.43 2.26 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 1.08 0.00 0.00 0.92 0.00 0.00 43 L 7.76 3.89 0.00 1.78 1.63 0.89 0.65 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 44 L 7.71 3.89 0.00 1.52 1.65 0.82 0.45 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 45 I 7.47 3.87 1.64 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.35 0.74 0.00 0.00 46 T 7.99 4.20 4.09 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 0.00 0.00 1.16 0.00 0.00 47 G 7.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.25 4.50 0.00 1.46 1.52 0.53 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.61 4.74 4.35 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 1.21 0.00 0.00 50 V 8.46 4.24 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 0.96 0.00 0.00 51 L 8.40 4.86 0.00 1.56 1.59 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 3.79 0.00 2.16 2.11 0.00 3.76 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 1.99 1.99 0.00 53 G 8.13 3.44 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 0.00 *56 G 8.11 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 0.00 0.00 0.00 57 N 8.82 4.42 0.00 2.76 2.77 0.00 0.00 6.61 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 58 D 8.98 4.95 0.00 2.49 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 59 A 7.74 5.27 1.21 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 0.00 0.00 0.00 60 V 8.87 5.18 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 0.97 0.00 0.00 1.01 0.00 0.00 61 D 8.86 5.09 0.00 2.92 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 62 N 8.99 4.43 0.00 2.76 2.94 0.00 0.00 6.69 7.35 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 63 A 8.59 4.47 1.31 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 64 G 8.17 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.00 4.14 0.00 2.13 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.91 0.00 0.00 0.00 0.00 0.00 2.06 1.61 0.00 66 E 8.57 5.01 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 67 Y 9.12 4.96 0.00 2.78 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 68 E 8.50 4.61 0.00 1.49 1.12 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 1.47 1.47 0.00 69 L 9.25 5.02 0.00 1.47 1.38 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.58 4.95 0.00 1.52 1.89 0.00 1.88 0.00 0.00 1.58 0.00 0.00 2.47 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.90 1.62 7.81 71 S 9.01 6.16 0.00 4.32 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 72 I 8.61 4.65 1.74 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.36 0.61 0.00 0.00 73 N 8.65 5.20 0.00 2.82 2.77 0.00 0.00 6.50 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 74 I 8.71 3.82 1.92 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 1.26 0.81 1.03 0.00 0.00 75 D 8.79 4.54 0.00 2.95 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 76 L 7.95 4.42 0.00 1.60 1.72 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.29 4.46 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 1.15 0.00 0.00 78 K 8.56 4.55 0.00 1.65 1.70 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.33 7.81 79 G 7.95 4.41 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 0.00 0.00 0.00 80 F 9.23 4.67 0.00 3.26 3.31 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 81 S 8.93 4.57 0.00 3.83 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 82 T 10.02 4.60 4.48 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 1.43 0.00 0.00 83 H 8.25 4.84 0.00 3.27 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.62 4.38 0.00 3.12 3.16 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.12 5.06 0.00 3.16 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.84 4.14 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 87 N 7.83 4.74 0.00 1.84 2.84 0.00 0.00 6.25 7.76 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 88 P 0.00 4.09 0.00 1.79 2.04 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.80 0.00 89 V 7.35 3.40 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 0.95 0.00 0.00 0.78 0.00 0.00 90 I 7.58 3.35 1.53 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.10 0.18 0.00 0.00 91 I 7.56 3.58 1.95 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.07 0.86 0.00 0.00 92 A 7.65 3.96 1.31 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 93 K 7.85 4.06 0.00 1.84 1.83 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.54 7.81 94 Y 8.04 4.72 0.00 3.00 3.10 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 95 R 7.89 4.20 0.00 1.79 2.05 0.00 3.10 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.66 0.00 96 Q 8.01 4.28 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.67 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 97 V 6.93 4.54 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 0.79 0.00 0.00 1.01 0.00 0.00 98 P 0.00 4.93 0.00 2.35 2.45 0.00 3.58 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 1.61 1.77 0.00 99 W 9.51 5.27 0.00 3.16 2.55 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 0.00 100 I 8.71 4.90 1.75 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 1.14 0.81 0.85 0.00 0.00 101 F 9.75 5.07 0.00 2.86 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.34 4.93 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 0.00 103 I 8.84 4.86 2.12 0.00 0.00 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 1.64 1.44 1.02 0.00 0.00 104 Y 9.14 5.04 0.00 2.97 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 0.00 105 R 9.12 4.60 0.00 1.87 1.85 0.00 3.22 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 106 G 9.35 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 0.00 107 I 8.85 4.21 1.90 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 1.37 0.76 0.92 0.00 0.00 108 A 7.67 4.96 1.33 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 0.00 109 I 8.35 4.02 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.69 0.27 0.00 0.00 110 E 9.52 4.67 0.00 1.96 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 0.00 2.28 2.28 0.00 111 A 7.66 5.00 1.31 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 0.00 112 I 9.03 5.10 1.89 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 1.15 0.70 0.90 0.00 0.00 113 Y 9.39 5.27 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 9.12 5.31 0.00 1.95 1.84 0.00 3.22 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 115 L 9.18 5.30 0.00 1.80 1.59 0.90 0.74 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 0.00 116 E 9.80 4.81 0.00 1.89 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 2.47 2.47 0.00 117 P 0.00 4.36 0.00 2.25 2.45 0.00 3.68 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 2.21 2.50 0.00 118 K 8.10 3.90 0.00 1.75 1.86 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 119 D 8.05 4.53 0.00 2.82 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.65 4.40 0.00 1.06 0.36 -0.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.93 3.95 0.00 1.99 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 2.53 2.66 0.00 122 F 8.07 3.81 0.00 2.89 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 0.00 123 Y 7.16 3.00 0.00 2.22 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 0.00 124 Y 7.03 4.52 0.00 2.99 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 0.00 125 D 8.11 4.36 0.00 2.52 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 0.00 126 K 7.19 3.81 0.00 1.37 1.50 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.35 7.81 127 W 8.13 4.57 0.00 3.60 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 0.00 128 E 8.73 4.31 0.00 2.40 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 2.52 2.47 0.00 129 R 8.24 4.04 0.00 2.14 2.05 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 130 K 8.35 4.07 0.00 2.10 2.20 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.54 7.81 131 W 8.39 4.10 0.00 3.64 3.44 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 0.00 132 Y 8.43 3.81 0.00 3.04 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 0.00 133 S 8.45 4.28 0.00 4.08 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 0.00 134 D 8.16 4.28 0.00 2.69 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 0.00 135 G 7.54 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 0.00 0.00 0.00 136 H 7.18 2.00 0.00 2.66 2.33 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 6.53 4.38 0.00 1.74 1.60 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.17 1.30 7.81 138 D 8.91 4.99 0.00 2.73 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 0.00 139 I 8.57 4.05 1.82 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.07 0.86 0.00 0.00 140 N 8.95 4.73 0.00 2.73 2.77 0.00 0.00 7.30 7.79 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 0.00 141 N 8.64 4.66 0.00 2.59 2.73 0.00 0.00 7.37 7.69 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 0.00 142 P 0.00 4.50 0.00 1.89 1.77 0.00 3.46 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.73 0.00 143 K 8.62 4.95 0.00 1.70 1.87 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.47 7.81 144 I 8.39 4.16 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.91 0.59 0.00 0.00 145 P 0.00 4.73 0.00 2.29 2.25 0.00 3.49 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 146 V 8.59 3.79 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 1.07 0.00 0.00 0.70 0.00 0.00 147 K 8.04 3.89 0.00 1.90 1.82 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.54 7.81 148 Y 7.95 3.88 0.00 3.06 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 0.00 149 V 7.49 3.36 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 -0.25 0.00 0.00 0.78 0.00 0.00 150 M 7.64 3.10 0.00 1.79 2.04 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 2.52 2.13 0.00 151 E 7.70 4.00 0.00 1.65 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 2.15 2.18 0.00 152 H 7.61 4.60 0.00 2.75 3.06 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.22 4.07 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 0.00 154 T 8.67 4.50 4.32 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 1.24 0.00 0.00 155 K 8.74 4.12 0.00 1.63 1.62 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.14 0.84 7.81 156 I 8.36 4.15 1.86 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 1.18 0.73 0.91 0.00 0.00 157 Y 7.40 4.23 0.00 2.89 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.