NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7697 8.2893 120.6140 55.5532 33.5092 174.3526 2 I 4.5054 8.1648 119.1429 58.2313 40.8853 173.5531 3 A 4.3452 9.1543 125.6775 51.7943 19.6300 179.8286 4 L 4.0125 8.7688 121.6438 58.3555 42.1729 179.7836 5 S 4.1932 8.1384 113.7528 61.4618 62.9902 176.4126 6 Q 4.0577 8.0393 122.4444 58.2244 28.3699 178.1446 7 F 4.2534 8.0463 120.2489 61.6649 39.4664 176.6201 8 N 4.3605 8.3857 115.1333 55.7839 38.4437 176.7475 9 S 4.4492 7.7884 113.7876 58.2744 63.6561 174.4803 10 L 4.1690 6.9256 122.5472 54.3474 42.0986 177.4965 11 S 4.3421 8.7336 116.1388 57.9870 65.0590 175.4400 12 K 3.7878 8.5418 121.9241 60.0558 31.7754 179.2152 13 D 4.4245 7.9740 118.3068 57.0421 41.0159 178.5129 14 E 3.9749 8.3280 118.9954 59.4172 29.3932 179.2850 15 A 4.0929 8.3390 120.8928 55.0606 18.5157 179.5500 16 A 4.1360 8.1158 119.3803 55.2971 18.2351 180.1224 17 G 3.6295 8.0845 103.3776 47.8048 0.0000 175.3857 18 L 4.1811 7.8066 121.7109 57.9424 42.4680 178.6673 19 L 4.3281 8.0790 117.9776 56.6934 41.8098 178.7517 20 A 4.1317 7.9371 121.0656 55.0660 18.0771 177.7606 21 P 4.4563 0.0000 0.0000 64.9478 31.5788 178.1778 22 C 4.3065 8.3813 116.8784 61.6926 28.1917 173.9455 23 V 4.2074 6.6689 113.9069 60.7990 34.4998 173.3226 24 A 4.3300 8.0792 126.1295 51.6967 17.6666 178.8582 25 L 4.8013 7.1775 121.7575 51.0290 43.8778 175.9137 26 P 4.3662 0.0000 0.0000 65.5656 31.3504 177.9742 27 A 4.2366 8.1083 119.0600 54.7299 18.4212 179.3276 28 W 4.3634 8.4737 126.6498 60.7534 30.8772 178.4466 29 G 3.5613 8.5152 105.1708 47.9416 0.0000 175.2282 30 E 4.0015 8.4542 121.1671 59.3092 29.1987 179.6559 31 T 3.8635 7.8106 114.9103 66.6574 68.8375 176.3677 32 L 4.1904 7.5185 120.5266 57.8193 41.4634 179.7537 33 V 3.6134 8.0526 118.5846 65.9795 31.2582 178.1507 34 S 4.2059 8.0909 112.5644 60.3121 62.9316 175.3026 35 L 4.3830 7.1485 120.3545 53.5274 42.0479 176.8083 36 R 3.5905 6.8035 118.9390 55.2137 30.6184 174.7087 37 P 4.6908 0.0000 0.0000 62.2675 32.5571 175.3243 38 F 4.7362 9.0232 118.4807 55.9513 40.6201 176.2187 39 A 4.4281 8.6979 127.2431 53.7312 19.5379 177.7333 40 S 4.7278 7.6736 109.4447 55.8645 67.1349 175.0113 41 R 3.7786 8.5672 122.8428 59.8350 29.8952 178.0271 42 H 4.0333 8.3402 117.2955 59.4981 29.7888 176.7935 43 A 3.9614 7.8327 122.2980 54.9243 18.0997 179.3096 44 L 3.2331 7.8684 118.8577 58.1879 42.1079 179.2973 45 L 3.8866 7.9393 118.9560 57.7336 41.5127 179.4984 46 Q 3.9529 8.0565 118.0415 59.3540 28.6422 179.0894 47 T 3.9120 7.9393 116.4769 66.4701 68.1894 176.6274 48 A 3.9982 8.1924 123.0052 55.2409 18.2609 179.9482 49 R 3.8041 8.1392 116.5984 59.2488 29.8993 178.8681 50 E 3.8675 7.9204 117.8566 59.2958 29.7514 178.5840 51 A 4.1707 8.1247 119.7619 54.3107 18.8599 178.3598 52 M 2.6838 7.4685 113.4085 54.7522 31.5737 177.8800 53 A 3.8227 7.2254 123.2966 55.0878 18.6345 178.0501 54 N 4.8801 7.7922 109.9438 52.6956 38.8906 175.1002 55 W 4.5622 7.8536 118.9349 57.2975 29.8962 175.8613 56 G 4.4693 9.2673 112.4418 43.6130 0.0000 172.5860 57 E 3.9347 8.8306 117.8994 59.4760 29.4691 179.4097 58 D 4.3337 8.0590 118.4579 57.4778 40.8578 178.5159 59 E 3.7755 8.0250 118.5527 58.9741 29.4265 178.8984 60 L 3.7401 7.8209 120.3880 58.1264 41.9448 178.6547 61 N 4.2251 8.1034 115.0290 56.4063 38.3861 176.9219 62 A 4.0539 7.8519 121.6732 55.1667 18.2602 179.5851 63 A 4.0413 7.7954 119.5926 53.8648 18.7072 178.8087 64 L 4.1601 7.4520 115.1653 54.5252 42.0791 178.6247 65 S 4.0972 7.6799 113.5317 60.4247 62.9666 174.9456 66 A 4.5928 7.7473 120.8467 51.7948 19.5995 176.0747 67 H 4.2807 8.0007 114.9457 54.7790 29.1598 173.9223 68 P 4.4659 0.0000 0.0000 62.9818 31.9272 176.5695 69 R 4.4628 9.0974 121.8945 55.0870 31.1315 177.4635 70 I 3.6624 9.1089 120.2926 64.0677 37.8729 176.8420 71 G 3.9873 8.0353 106.2030 45.6496 0.0000 173.3739 72 E 4.5730 8.1334 117.7368 55.8920 30.0406 177.0236 73 K 4.6436 7.5128 117.3034 53.8424 32.6034 174.1594 74 P 4.4059 0.0000 0.0000 62.8497 33.1819 175.0201 75 T 3.8270 8.5338 111.8999 62.5877 68.4787 174.9330 *92 D 4.4111 8.5625 116.3557 53.8134 43.2353 173.9498 93 S 4.6567 7.8516 115.9629 56.0679 66.9705 175.0750 94 E 3.9483 8.6933 121.9530 59.6209 29.1428 179.1689 95 N 4.2643 8.0818 116.5225 56.6305 39.1228 176.3619 96 E 3.9237 8.0342 120.2122 59.4058 29.6768 179.0369 97 R 3.9346 8.0492 118.1578 58.9600 30.0005 178.8381 98 L 3.8866 8.2029 120.1089 58.1156 42.1689 178.8019 99 A 3.9800 8.2906 121.0791 55.3558 18.2188 179.6840 100 Q 3.9084 8.2386 116.2294 59.0502 28.8077 178.8014 101 A 3.9675 8.2263 121.9867 55.1435 18.4441 179.7108 102 L 3.8891 8.2316 117.8633 57.7430 41.6794 179.8156 103 R 3.8438 8.0199 118.6547 59.4411 30.1194 178.3623 104 E 4.0588 8.4723 118.8243 59.4490 29.4193 179.6349 105 G 3.5583 8.1569 105.7174 47.7446 0.0000 175.2160 106 N 4.1639 8.0854 119.1178 56.2784 38.8977 176.8454 107 A 4.0431 8.1110 122.1574 55.3795 18.5407 179.9003 108 R 3.8984 8.1736 116.6165 59.2534 29.9777 178.5764 109 Y 4.0949 8.2924 119.6258 60.9375 38.8514 178.1301 110 E 4.4628 8.6156 120.0236 59.0105 29.3505 179.3349 111 A 4.0034 7.6713 119.5297 54.8325 18.4621 179.5266 112 R 3.6603 7.7472 116.4640 59.1426 30.3221 177.9794 113 F 4.6842 7.8537 114.5861 56.2433 39.8326 176.3616 114 G 3.9361 8.6548 106.5179 45.8747 0.0000 173.3393 115 R 4.7546 7.5987 113.8302 54.0591 32.5207 174.5494 116 V 3.8062 8.1587 111.8731 61.1787 32.0644 176.2440 117 F 3.5607 8.6899 125.3013 57.6299 39.0384 174.3240 118 L 4.2982 7.5351 130.4946 52.9796 43.1707 175.2914 119 I 4.1850 7.4482 124.9719 58.9178 40.9579 174.0190 120 R 3.8812 9.0573 128.3435 56.4349 29.9686 175.7514 121 A 4.2785 8.4781 128.9604 53.6415 19.8309 177.0996 122 K 3.9999 7.8367 117.1271 58.1493 32.3768 176.8817 123 G 3.9828 9.1555 114.9090 45.0673 0.0000 172.8304 124 R 4.7787 7.6730 119.1029 54.2224 32.1571 176.9571 125 S 4.5744 9.2812 118.4103 57.5563 65.3846 175.6840 126 G 3.6651 8.5646 108.7611 48.1740 0.0000 175.6899 127 E 4.0005 8.1297 120.4061 59.2454 29.5498 179.1830 128 E 3.9886 8.2611 118.6397 59.4027 29.4160 179.4790 129 I 3.7935 8.0474 120.1092 64.2489 37.0778 178.2163 130 L 3.9097 8.1217 121.2519 58.0759 41.8828 178.9068 131 Q 3.9712 8.3009 117.8833 59.0562 28.6388 178.9011 132 A 4.0225 8.0356 121.5617 55.0327 18.4395 179.3832 133 L 3.6670 8.2914 119.2074 58.5772 41.8834 179.3356 134 T 3.8449 7.9099 114.7054 66.5933 68.6787 176.3645 135 R 4.0341 8.0127 120.5841 59.6019 30.2668 178.8644 136 R 3.7771 8.4175 117.9334 58.8010 29.8216 178.8627 137 L 4.4504 8.0320 118.0738 56.9145 41.6255 177.6987 138 Q 4.5236 7.5591 115.9174 55.7493 29.1548 175.6568 139 H 4.6196 7.9198 116.0320 55.7122 29.5132 176.0299 140 T 4.2988 8.5662 112.3324 61.2325 70.8421 175.6156 141 A 4.2459 8.6412 123.6217 55.7515 18.4788 179.8883 142 D 4.3166 8.0726 116.7223 57.5423 40.9932 178.6014 143 E 3.8994 8.0247 118.6529 59.4183 29.3414 179.1242 144 E 3.8554 8.1152 119.3484 58.9015 29.6305 178.8324 145 V 3.5120 7.7976 118.2234 65.9450 31.5540 177.8672 146 A 3.9759 7.7702 119.8650 55.2167 18.1772 179.3006 147 E 3.8489 8.1788 117.6500 59.2434 29.6582 178.7722 148 A 3.8657 8.2907 121.2673 55.1168 18.3367 179.5978 149 L 3.9432 8.0564 117.2526 57.8411 41.7094 179.5606 150 A 3.9732 7.9961 120.7224 55.3451 18.2616 179.7469 151 Q 3.8887 8.2698 116.7089 58.8646 28.7323 178.6806 152 L 3.9011 8.1277 121.5643 58.2221 42.1199 179.2981 153 R 3.8869 8.3467 118.1861 59.2478 29.9821 178.9045 154 E 3.9134 8.2219 118.2919 59.4400 29.4944 179.5088 155 I 3.6485 7.8778 119.8471 64.6561 37.1789 178.5374 156 T 4.0004 7.8180 117.8155 66.3471 68.2286 176.5480 157 M 4.0786 7.9447 120.4154 58.3946 31.7463 178.8381 158 L 3.9805 7.6646 118.0472 57.8552 41.7165 179.5158 159 R 4.0558 8.0976 118.0437 59.1062 29.9869 178.8553 160 L 4.0026 8.1247 120.2072 58.2288 41.8790 178.8548 161 E 4.0729 8.2768 117.8456 59.0293 29.4582 178.8743 162 G 3.7804 7.6914 103.0954 45.8874 0.0000 174.9370 163 A 4.4128 7.8311 122.9755 52.4502 19.3106 176.9403 164 I 4.8093 7.0988 116.6657 59.7915 40.2534 176.3053 165 G 4.0840 8.7652 116.8033 45.4632 0.0000 173.5814 166 E 4.3595 8.6842 120.1856 56.6971 29.2192 177.2743 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 1 M 8.29 4.77 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 2 I 8.16 4.51 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.15 0.95 0.00 0.00 3 A 9.15 4.35 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 4 L 8.77 4.01 0.00 1.99 1.84 0.99 0.95 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 5 S 8.14 4.19 0.00 4.12 4.15 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 6 Q 8.04 4.06 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 7 F 8.05 4.25 0.00 3.00 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 8 N 8.39 4.36 0.00 2.94 2.87 0.00 0.00 7.06 7.08 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 9 S 7.79 4.45 0.00 4.02 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 0.00 10 L 6.93 4.17 0.00 1.70 1.60 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.73 4.34 0.00 4.03 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 12 K 8.54 3.79 0.00 1.79 1.89 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.50 7.81 13 D 7.97 4.42 0.00 2.69 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 14 E 8.33 3.97 0.00 2.24 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 2.34 2.33 0.00 15 A 8.34 4.09 1.11 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 16 A 8.12 4.14 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 17 G 8.08 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 18 L 7.81 4.18 0.00 1.95 2.09 0.93 1.06 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 19 L 8.08 4.33 0.00 1.97 1.92 0.96 0.99 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 20 A 7.94 4.13 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 21 P 0.00 4.46 0.00 2.06 2.14 0.00 3.88 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 22 C 8.38 4.31 0.00 3.26 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 23 V 6.67 4.21 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 0.29 0.00 0.00 0.54 0.00 0.00 24 A 8.08 4.33 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 25 L 7.18 4.80 0.00 1.57 1.52 -0.44 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.37 0.00 2.20 2.16 0.00 3.62 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 2.14 2.20 0.00 27 A 8.11 4.24 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 28 W 8.47 4.36 0.00 3.87 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 29 G 8.52 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.00 0.00 2.27 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 2.36 2.47 0.00 31 T 7.81 3.86 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 32 L 7.52 4.19 0.00 1.64 1.67 -0.03 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.05 3.61 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 1.04 0.00 0.00 1.00 0.00 0.00 34 S 8.09 4.21 0.00 4.06 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 0.00 35 L 7.15 4.38 0.00 1.67 1.55 0.95 1.21 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 36 R 6.80 3.59 0.00 1.66 1.73 0.00 2.72 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 37 P 0.00 4.69 0.00 2.14 1.99 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 38 F 9.02 4.74 0.00 3.14 3.04 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 39 A 8.70 4.43 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 40 S 7.67 4.73 0.00 4.05 3.96 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 41 R 8.57 3.78 0.00 2.03 1.96 0.00 3.33 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 42 H 8.34 4.03 0.00 3.28 3.32 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.83 3.96 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 44 L 7.87 3.23 0.00 1.19 1.58 -0.41 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.94 3.89 0.00 1.79 1.64 0.89 0.85 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 46 Q 8.06 3.95 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 47 T 7.94 3.91 4.46 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 1.35 0.00 0.00 48 A 8.19 4.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.14 3.80 0.00 2.00 1.93 0.00 3.10 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 1.60 1.84 0.00 50 E 7.92 3.87 0.00 1.98 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 0.00 2.32 2.32 0.00 51 A 8.12 4.17 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.47 2.68 0.00 0.94 0.57 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.49 0.00 53 A 7.23 3.82 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 54 N 7.79 4.88 0.00 2.77 2.89 0.00 0.00 6.91 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 55 W 7.85 4.56 0.00 3.42 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 56 G 9.27 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 3.93 0.00 2.05 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 2.37 2.41 0.00 58 D 8.06 4.33 0.00 2.72 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 59 E 8.03 3.78 0.00 2.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 60 L 7.82 3.74 0.00 1.71 1.80 0.84 0.50 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 61 N 8.10 4.23 0.00 2.84 2.84 0.00 0.00 7.07 7.57 0.00 0.00 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 A 7.85 4.05 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 63 A 7.80 4.04 1.02 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 64 L 7.45 4.16 0.00 1.57 1.55 0.84 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 65 S 7.68 4.10 0.00 3.98 4.15 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 66 A 7.75 4.59 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 67 H 8.00 4.28 0.00 3.31 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.47 0.00 2.04 2.00 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 69 R 9.10 4.46 0.00 1.85 2.20 0.00 3.48 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 70 I 9.11 3.66 1.92 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 1.25 0.64 1.07 0.00 0.00 71 G 8.04 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 72 E 8.13 4.57 0.00 2.13 1.98 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 2.27 2.27 0.00 73 K 7.51 4.64 0.00 1.68 1.70 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.40 7.81 74 P 0.00 4.41 0.00 2.18 2.06 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 75 T 8.53 3.83 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 1.27 0.00 0.00 *92 D 8.56 4.41 0.00 2.66 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 93 S 7.85 4.66 0.00 4.03 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 94 E 8.69 3.95 0.00 2.03 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 2.40 2.37 0.00 95 N 8.08 4.26 0.00 2.83 2.81 0.00 0.00 6.82 7.65 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 96 E 8.03 3.92 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 97 R 8.05 3.93 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 98 L 8.20 3.89 0.00 1.81 1.89 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.29 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.24 3.91 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 101 A 8.23 3.97 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 0.00 102 L 8.23 3.89 0.00 1.89 1.71 0.92 0.97 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 0.00 103 R 8.02 3.84 0.00 1.98 2.03 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 104 E 8.47 4.06 0.00 2.02 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 2.32 2.49 0.00 105 G 8.16 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.09 4.16 0.00 3.00 2.94 0.00 0.00 7.10 8.66 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 0.00 107 A 8.11 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.17 3.90 0.00 2.02 1.98 0.00 3.12 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 109 Y 8.29 4.09 0.00 3.08 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.62 4.46 0.00 2.33 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 0.00 2.71 2.58 0.00 111 A 7.67 4.00 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 0.00 112 R 7.75 3.66 0.00 1.46 1.72 0.00 2.87 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 113 F 7.85 4.68 0.00 2.46 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 0.00 114 G 8.65 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 0.00 0.00 0.00 115 R 7.60 4.75 0.00 2.02 2.07 0.00 3.10 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 116 V 8.16 3.81 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 0.81 0.00 0.00 0.91 0.00 0.00 117 F 8.69 3.56 0.00 2.43 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 0.00 118 L 7.54 4.30 0.00 1.40 1.28 0.81 0.93 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 0.00 119 I 7.45 4.19 1.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.80 0.00 0.00 120 R 9.06 3.88 0.00 1.72 1.88 0.00 3.49 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 121 A 8.48 4.28 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 0.00 122 K 7.84 4.00 0.00 1.71 1.73 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 123 G 9.16 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 0.00 124 R 7.67 4.78 0.00 1.88 1.85 0.00 3.33 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 125 S 9.28 4.57 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.56 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.13 4.00 0.00 2.02 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 2.40 2.40 0.00 128 E 8.26 3.99 0.00 2.28 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 2.33 2.35 0.00 129 I 8.05 3.79 2.04 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 1.45 0.88 1.05 0.00 0.00 130 L 8.12 3.91 0.00 1.83 1.84 0.88 0.67 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 0.00 131 Q 8.30 3.97 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 132 A 8.04 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 0.00 133 L 8.29 3.67 0.00 1.36 1.73 -0.21 0.50 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 0.00 134 T 7.91 3.84 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 135 R 8.01 4.03 0.00 1.90 2.14 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 136 R 8.42 3.78 0.00 2.15 2.33 0.00 3.46 0.00 0.00 3.52 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 137 L 8.03 4.45 0.00 1.95 1.79 0.94 1.02 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 0.00 138 Q 7.56 4.52 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 139 H 7.92 4.62 0.00 3.63 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.57 4.30 4.29 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 1.25 0.00 0.00 141 A 8.64 4.25 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 0.00 142 D 8.07 4.32 0.00 2.71 2.73 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 0.00 143 E 8.02 3.90 0.00 2.09 1.60 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 2.28 2.30 0.00 144 E 8.12 3.86 0.00 1.82 1.72 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 1.47 1.79 0.00 145 V 7.80 3.51 2.20 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 0.95 0.00 0.00 1.01 0.00 0.00 146 A 7.77 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.18 3.85 0.00 2.08 1.95 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 2.29 2.31 0.00 148 A 8.29 3.87 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 0.00 149 L 8.06 3.94 0.00 1.98 1.81 1.02 0.70 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 0.00 150 A 8.00 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.27 3.89 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 152 L 8.13 3.90 0.00 1.83 1.94 0.76 0.69 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 0.00 153 R 8.35 3.89 0.00 2.01 1.83 0.00 3.11 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.96 0.00 154 E 8.22 3.91 0.00 2.13 1.96 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 2.29 2.50 0.00 155 I 7.88 3.65 1.82 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 1.47 0.93 0.86 0.00 0.00 156 T 7.82 4.00 4.15 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 0.39 0.00 0.00 157 M 7.94 4.08 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.79 0.00 158 L 7.66 3.98 0.00 1.76 1.71 0.89 1.05 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 0.00 159 R 8.10 4.06 0.00 2.00 1.98 0.00 3.31 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 160 L 8.12 4.00 0.00 2.03 1.90 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.28 4.07 0.00 2.15 1.98 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 2.32 2.43 0.00 162 G 7.69 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.83 4.41 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 I 7.10 4.81 1.61 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.48 0.78 0.00 0.00 165 G 8.77 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 0.00 166 E 8.68 4.36 0.00 1.87 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 2.31 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.