NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6133 8.3649 120.2572 53.1647 41.1250 174.2173 6 F 4.7570 8.3647 124.9696 55.8679 40.5371 171.0291 7 E 3.9933 8.9575 124.0866 57.8409 31.0067 175.2820 8 E 4.3363 7.9705 122.5564 56.4797 27.2562 171.9398 9 K 4.6372 7.8277 123.0069 54.2748 35.4193 174.2193 10 M 4.5827 8.4712 126.6153 54.2427 32.2979 175.4222 11 I 4.0502 8.3527 127.7695 63.6100 37.5056 176.3725 12 L 4.6219 7.5541 119.3662 55.0123 43.4437 173.1245 13 I 5.8498 8.5702 119.8868 58.6823 41.0334 175.0210 14 R 4.6681 8.4857 120.3795 54.7942 33.2428 174.0327 15 R 4.4463 8.5397 122.4136 55.1734 30.2614 175.5766 16 T 4.5066 8.1566 118.1124 61.2324 71.5147 173.1354 17 A 4.4360 7.7988 119.7025 51.4241 21.6994 175.7410 18 R 4.6568 7.7762 115.1973 54.7931 33.5059 174.2239 19 M 4.7256 8.0990 118.8431 54.0508 34.6202 175.4317 20 Q 4.3230 8.4216 117.5455 55.0973 32.7388 172.7766 21 A 4.0729 8.7949 126.3524 54.4583 18.5883 176.2474 22 G 4.3215 9.5054 115.8292 45.4454 0.0000 173.5159 23 G 3.9890 7.8578 107.7844 44.5630 0.0000 170.9730 24 R 4.6812 8.4161 116.2298 54.4248 31.4683 176.4575 25 R 4.2383 8.0182 123.6925 55.7613 32.5208 173.6431 26 F 5.0808 8.0047 116.9012 56.8614 43.0895 174.1355 27 R 4.6934 7.5562 117.8632 56.9443 32.9108 173.7227 28 F 5.9146 7.9440 121.4794 54.6770 43.5050 174.0647 29 G 4.3401 8.6781 106.7352 44.5399 0.0000 171.8917 30 A 5.0991 7.6984 122.5431 50.4435 22.5268 175.2759 31 L 5.0696 8.7898 123.3310 54.5846 43.4633 176.5788 32 V 4.8207 8.8690 123.3092 61.2477 35.2900 174.6195 33 V 5.2432 8.4713 126.7812 61.1449 34.7509 174.4287 34 V 4.7957 7.9287 121.4048 61.9899 34.8107 172.4503 35 G 4.7589 8.9779 112.7807 45.8735 0.0000 173.1858 36 D 4.8455 8.9349 120.0929 52.6281 40.7658 176.8459 37 R 3.9344 8.1673 117.1546 57.8908 26.7128 176.3632 38 Q 4.5026 9.0699 114.2136 55.7656 29.0701 176.4374 39 G 4.0231 7.8866 108.8916 45.1374 0.0000 173.2132 40 R 4.9209 8.1989 118.5274 54.2057 32.7467 175.1209 41 V 4.7482 8.3231 117.3343 59.3882 36.2194 175.2921 42 G 4.2832 8.7569 109.7027 44.1070 0.0000 170.9949 43 L 5.2333 8.4988 126.2207 53.1796 45.0412 175.1865 44 G 4.3489 8.9834 111.9781 44.7250 0.0000 170.9278 45 F 5.5111 8.8613 126.4003 56.1809 41.6659 174.7138 46 G 3.9747 8.6672 113.4003 44.2559 0.0000 171.3210 47 K 5.6452 8.5590 124.2034 53.9759 34.9863 175.3851 48 A 4.6538 8.3482 123.5494 50.4362 22.2874 175.3815 49 P 4.4954 0.0000 0.0000 64.4827 31.9133 176.3493 50 E 4.3346 8.2674 118.7217 53.1697 33.1815 175.4223 51 V 3.2729 7.8427 125.1575 65.8196 31.4430 176.4128 52 P 4.1424 0.0000 0.0000 65.8847 31.1271 177.9724 53 L 3.8406 8.0063 116.3781 58.1937 41.4788 179.1178 54 A 3.9259 8.0505 119.9029 55.6186 18.3874 179.5988 55 V 3.5039 7.6481 115.3812 66.4599 31.6928 177.4859 56 Q 3.9244 8.0003 118.7413 59.7207 28.9100 178.6671 57 K 4.1171 8.5931 118.9219 59.8365 32.2089 178.7031 58 A 4.1556 8.4063 121.1898 55.5018 18.2747 179.7621 59 G 3.8317 8.2123 104.5592 47.3006 0.0000 174.9457 60 Y 4.3425 8.0470 121.1336 61.1059 38.8769 178.0361 61 Y 3.6770 8.1530 116.8718 60.5764 37.6741 178.0472 62 A 4.1294 7.8556 122.3748 54.8758 18.6165 179.7586 63 R 3.9880 8.4897 115.0710 59.0903 30.1235 179.2267 64 R 4.1126 7.5487 117.9751 58.0525 31.2866 176.1351 65 N 4.8080 8.5952 121.2848 51.8355 39.0962 172.8987 66 M 5.1512 8.1277 123.0783 52.9649 36.5345 174.4256 67 V 4.5953 8.4390 117.9973 59.9171 35.4021 174.3286 68 E 4.2387 8.8116 121.1579 56.7498 30.0625 176.6595 69 V 4.0771 9.5599 127.2553 59.9132 31.6618 174.7205 70 P 4.6238 0.0000 0.0000 62.1337 28.7245 176.4482 71 L 4.7017 7.4050 120.9307 56.6997 42.1221 176.1943 72 Q 5.0816 9.1144 123.5758 57.8449 31.4699 173.3596 73 N 4.1588 10.1874 118.5969 53.9579 36.8794 175.1195 74 G 4.0446 8.3294 106.2482 45.3108 0.0000 173.0911 75 T 4.9138 8.5700 116.5352 61.3484 68.6254 172.5566 76 I 4.8791 8.0128 120.1813 58.5878 40.7043 173.8947 77 P 4.3913 0.0000 0.0000 65.6964 31.3224 175.8022 78 H 4.9355 7.7063 111.5118 53.3124 31.6601 171.6786 79 E 4.8317 8.4404 117.5850 55.6829 31.2282 175.6218 80 I 4.6772 8.6611 113.5380 59.7736 41.3268 173.3029 81 E 5.6956 8.6918 123.0704 54.1203 32.4071 175.6642 82 V 4.4524 8.0346 121.8583 61.5335 35.1980 173.2879 83 E 4.8531 8.9423 127.5855 55.4375 31.0385 176.0638 84 F 4.5323 9.5957 127.9536 56.6862 39.7735 176.5913 85 G 3.7754 8.3558 118.0164 45.2508 0.0000 171.9229 86 A 4.3844 8.4908 124.9050 52.2616 21.5310 177.6436 87 S 5.3237 7.9292 112.4807 56.1715 65.0171 173.9356 88 K 5.1012 9.4283 126.7064 54.9630 35.3421 174.5138 89 I 5.1163 8.4957 123.0193 59.5121 42.1046 173.4881 90 V 4.7985 8.8570 128.9010 61.1290 33.8684 174.1058 91 L 4.9693 8.8802 128.0579 52.8623 44.3368 175.4363 92 K 4.8209 9.4426 126.3571 53.4697 35.1197 173.6229 93 P 4.6969 0.0000 0.0000 63.0337 31.7854 175.5286 94 A 4.8976 8.3039 123.8949 49.6456 21.6835 176.1844 95 A 4.1143 8.4931 122.0565 51.1363 19.1748 176.0729 96 P 4.9098 0.0000 0.0000 63.7304 32.1338 176.1502 97 G 3.6211 8.9896 110.4929 46.4832 0.0000 171.2563 98 T 4.3431 9.4036 114.1412 62.3646 72.3181 174.1789 99 G 4.1992 7.1584 105.1265 43.4305 0.0000 172.8105 100 V 4.0166 7.8543 122.2558 61.4739 31.0525 174.6710 101 I 4.3290 8.0445 120.5260 59.9144 38.6342 174.6221 102 A 4.5540 8.0993 127.5043 51.0853 22.4572 175.2130 103 G 3.7931 8.5239 108.2933 44.5231 0.0000 174.6553 104 A 3.9617 8.7350 120.4494 55.8967 18.0508 179.5577 105 V 3.5329 7.8962 116.0133 65.7836 31.5487 176.1757 106 P 4.2860 0.0000 0.0000 65.8374 31.1586 178.2149 107 R 3.8532 8.3602 118.6630 58.9844 29.9071 177.9805 108 A 4.0156 8.3385 120.5454 55.7427 18.1043 179.4661 109 I 3.7860 7.9083 118.0197 64.4365 37.3644 178.5512 110 L 4.0747 8.2249 119.7745 57.5090 41.4440 179.0813 111 E 3.9913 8.6009 120.5708 59.0844 29.3985 177.9232 112 L 4.2123 7.5984 115.1229 55.6157 41.6621 178.3704 113 A 4.0773 7.7671 121.8636 52.6531 18.7403 179.3339 114 G 3.9094 8.4863 104.0832 45.9526 0.0000 173.9733 115 V 4.7295 7.1552 117.4717 61.2548 33.0299 175.4575 116 T 4.4452 8.2298 116.3812 64.7984 72.8477 173.5065 117 D 5.0102 7.7040 123.2693 53.4018 42.2272 175.7179 118 I 4.3631 7.7527 118.6245 60.2014 42.3548 173.0551 119 L 4.6269 9.2617 132.1038 54.7171 42.8308 176.2323 120 T 5.6675 7.9991 111.7655 59.9965 72.5260 173.1858 121 K 4.5682 8.2202 122.4680 55.2724 35.6699 174.7962 122 E 4.6878 8.8512 127.1120 56.5926 30.4133 175.9759 123 L 4.5543 8.6741 121.7040 54.2702 46.7426 177.7981 124 G 3.7280 8.5715 108.6368 45.2126 0.0000 172.8010 125 S 4.0348 7.8768 113.3353 59.5586 62.5711 176.1093 126 R 4.4013 8.3697 126.1717 56.0222 30.5221 176.0870 127 N 4.2811 8.3064 117.6415 55.0296 39.6059 172.5791 128 P 3.7486 0.0000 0.0000 64.9920 31.7587 178.2751 129 I 3.5251 7.7314 118.4309 65.2506 37.8444 177.7653 130 N 4.3335 8.0730 116.6575 56.0642 38.4987 177.6946 131 I 3.7108 8.5626 121.7731 64.8363 37.3050 177.3574 132 A 3.8210 8.5085 120.8136 56.0224 18.1199 178.8104 133 Y 3.6471 8.4704 112.5561 60.9514 38.0454 179.2157 134 A 4.0023 7.7835 120.9421 55.5380 18.3291 179.4131 135 T 3.8256 8.1641 113.1637 68.0945 68.8590 175.7706 136 M 3.9675 8.1029 120.2163 57.2946 31.5278 178.1513 137 E 3.8657 8.2365 122.2829 60.1607 30.3549 179.2422 138 A 4.0610 8.5253 120.9897 55.5961 18.3600 179.0061 139 L 3.7595 8.7333 115.9205 58.3301 41.5974 180.8340 140 R 3.7606 7.1811 118.7917 59.1953 31.1729 177.7642 141 Q 4.3948 7.5681 114.9832 55.3888 29.0666 176.0400 142 L 4.5735 7.7735 120.6834 54.4076 42.6398 176.4567 143 R 4.7701 8.3705 119.0859 54.7387 34.4561 174.5444 144 T 4.7034 9.4668 110.0513 59.2065 71.7253 174.8250 145 K 3.6936 8.8132 123.3509 59.8436 32.2993 177.7940 146 A 4.1856 7.6684 120.3278 53.8653 17.7604 177.8044 147 D 4.4506 6.9889 122.7475 54.6777 40.2700 178.8959 148 V 3.7582 7.9223 121.1616 65.8198 31.5880 177.3130 149 E 4.0399 8.2594 117.0433 58.4875 29.3166 178.8252 150 R 3.8840 7.8947 119.8611 59.3937 30.1862 177.7359 151 L 4.2449 7.9903 117.4486 55.7278 42.7920 177.5520 152 R 4.6855 7.2559 119.2921 55.2165 31.3128 176.2737 153 K 4.0527 8.0224 123.4240 56.5367 31.1288 179.4033 154 G 4.0517 9.5147 116.4820 47.7050 0.0000 174.5919 *155 E 4.1319 7.9879 118.1807 55.9788 30.4399 177.7249 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 5 D 8.36 4.61 0.00 2.72 2.67 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 6 F 8.36 4.76 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.96 3.99 0.00 2.15 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 2.35 2.32 0.00 8 E 7.97 4.34 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 9 K 7.83 4.64 0.00 1.87 1.63 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 10 M 8.47 4.58 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 11 I 8.35 4.05 1.98 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 0.94 0.95 0.00 0.00 12 L 7.55 4.62 0.00 1.69 1.76 1.06 0.62 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 13 I 8.57 5.85 1.92 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 1.06 1.13 1.02 0.00 0.00 14 R 8.49 4.67 0.00 1.86 2.03 0.00 3.01 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 15 R 8.54 4.45 0.00 1.26 1.70 0.00 2.21 0.00 0.00 2.66 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 0.00 16 T 8.16 4.51 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 1.24 0.00 0.00 17 A 7.80 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.78 4.66 0.00 1.92 1.94 0.00 2.71 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 19 M 8.10 4.73 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 20 Q 8.42 4.32 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 21 A 8.79 4.07 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 22 G 9.51 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 0.00 0.00 0.00 0.00 23 G 7.86 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 24 R 8.42 4.68 0.00 1.39 1.74 0.00 3.04 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.34 0.00 25 R 8.02 4.24 0.00 1.85 1.76 0.00 3.06 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 1.61 1.67 0.00 26 F 8.00 5.08 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.56 4.69 0.00 1.92 1.74 0.00 3.15 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 28 F 7.94 5.91 0.00 2.93 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 29 G 8.68 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 0.00 0.00 0.00 0.00 30 A 7.70 5.10 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 31 L 8.79 5.07 0.00 1.81 1.70 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.87 4.82 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 33 V 8.47 5.24 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 0.69 0.00 0.00 0.91 0.00 0.00 34 V 7.93 4.80 2.17 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 0.75 0.00 0.00 1.02 0.00 0.00 35 G 8.98 4.76 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 36 D 8.93 4.85 0.00 2.95 3.32 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 37 R 8.17 3.93 0.00 2.03 2.15 0.00 3.17 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 38 Q 9.07 4.50 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.12 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 39 G 7.89 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 40 R 8.20 4.92 0.00 1.80 1.62 0.00 3.12 0.00 0.00 3.65 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 41 V 8.32 4.75 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 0.69 0.00 0.00 0.86 0.00 0.00 42 G 8.76 4.28 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 0.00 43 L 8.50 5.23 0.00 1.60 1.27 0.92 0.70 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 44 G 8.98 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 0.00 0.00 0.00 0.00 45 F 8.86 5.51 0.00 2.93 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 46 G 8.67 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.56 5.65 0.00 1.53 1.70 0.00 1.45 0.00 0.00 2.06 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 0.82 7.81 48 A 8.35 4.65 1.24 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 0.00 0.00 0.00 49 P 0.00 4.50 0.00 2.09 2.20 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 50 E 8.27 4.33 0.00 1.94 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 2.11 2.12 0.00 51 V 7.84 3.27 1.81 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 0.87 0.00 0.00 0.12 0.00 0.00 52 P 0.00 4.14 0.00 2.12 2.04 0.00 3.41 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 53 L 8.01 3.84 0.00 1.83 1.75 0.91 0.71 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 54 A 8.05 3.93 1.45 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 0.00 0.00 55 V 7.65 3.50 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 1.00 0.00 0.00 1.02 0.00 0.00 56 Q 8.00 3.92 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.48 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 57 K 8.59 4.12 0.00 2.11 2.27 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.27 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.61 1.75 7.81 58 A 8.41 4.16 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 59 G 8.21 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 60 Y 8.05 4.34 0.00 3.00 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 61 Y 8.15 3.68 0.00 3.01 2.95 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 62 A 7.86 4.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 3.99 0.00 2.04 2.12 0.00 3.32 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.79 0.00 64 R 7.55 4.11 0.00 1.56 1.91 0.00 3.03 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 65 N 8.60 4.81 0.00 2.79 2.75 0.00 0.00 7.04 7.63 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 66 M 8.13 5.15 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 67 V 8.44 4.60 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.90 0.00 0.00 68 E 8.81 4.24 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 2.26 2.30 0.00 69 V 9.56 4.08 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 0.78 0.00 0.00 0.95 0.00 0.00 70 P 0.00 4.62 0.00 2.23 2.09 0.00 3.83 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 2.00 2.00 0.00 71 L 7.40 4.70 0.00 1.66 1.73 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 9.11 5.08 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.20 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 73 N 10.19 4.16 0.00 2.83 2.89 0.00 0.00 7.44 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 74 G 8.33 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 75 T 8.57 4.91 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 1.32 0.00 0.00 76 I 8.01 4.88 1.86 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 1.46 0.79 0.90 0.00 0.00 77 P 0.00 4.39 0.00 2.39 2.21 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 78 H 7.71 4.94 0.00 3.24 3.26 0.00 5.51 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 79 E 8.44 4.83 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 80 I 8.66 4.68 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.81 0.00 0.00 81 E 8.69 5.70 0.00 1.85 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 2.21 2.11 0.00 82 V 8.03 4.45 2.11 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 1.07 0.00 0.00 0.95 0.00 0.00 83 E 8.94 4.85 0.00 1.89 1.86 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 2.28 2.31 0.00 84 F 9.60 4.53 0.00 3.02 2.95 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 85 G 8.36 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 86 A 8.49 4.38 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 87 S 7.93 5.32 0.00 3.91 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 88 K 9.43 5.10 0.00 1.78 1.74 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.47 7.81 89 I 8.50 5.12 1.89 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 1.11 1.34 0.97 0.00 0.00 90 V 8.86 4.80 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 0.91 0.00 0.00 0.96 0.00 0.00 91 L 8.88 4.97 0.00 1.61 1.51 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.44 4.82 0.00 1.73 1.70 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.34 7.81 93 P 0.00 4.70 0.00 2.11 2.19 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 94 A 8.30 4.90 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 95 A 8.49 4.11 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 96 P 0.00 4.91 0.00 2.05 2.03 0.00 3.82 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 97 G 8.99 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 98 T 9.40 4.34 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 99 G 7.16 4.20 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 0.00 100 V 7.85 4.02 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 0.84 0.00 0.00 1.04 0.00 0.00 101 I 8.04 4.33 1.87 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 1.16 0.98 0.91 0.00 0.00 102 A 8.10 4.55 1.22 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 0.00 0.00 103 G 8.52 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.73 3.96 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 0.00 105 V 7.90 3.53 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 1.10 0.00 0.00 0.95 0.00 0.00 106 P 0.00 4.29 0.00 2.29 2.29 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.03 0.00 107 R 8.36 3.85 0.00 1.93 2.02 0.00 3.14 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 108 A 8.34 4.02 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 0.00 109 I 7.91 3.79 1.99 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 1.48 1.19 0.86 0.00 0.00 110 L 8.22 4.07 0.00 1.86 1.72 0.91 0.71 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 0.00 111 E 8.60 3.99 0.00 2.13 1.90 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 2.31 2.35 0.00 112 L 7.60 4.21 0.00 1.74 1.68 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.77 4.08 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 0.00 0.00 0.00 0.00 0.00 114 G 8.49 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 0.00 115 V 7.16 4.73 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 1.22 0.00 0.00 0.99 0.00 0.00 116 T 8.23 4.45 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 1.21 0.00 0.00 117 D 7.70 5.01 0.00 2.60 2.68 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 0.00 0.00 0.00 0.00 118 I 7.75 4.36 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.97 0.91 0.00 0.00 119 L 9.26 4.63 0.00 1.66 1.56 0.92 0.37 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 0.00 120 T 8.00 5.67 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 1.28 0.00 0.00 121 K 8.22 4.57 0.00 1.86 1.64 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.54 7.81 122 E 8.85 4.69 0.00 1.90 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 0.00 2.32 2.35 0.00 123 L 8.67 4.55 0.00 1.56 1.49 0.92 0.84 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 0.00 124 G 8.57 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 0.00 0.00 0.00 125 S 7.88 4.03 0.00 3.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.37 4.40 0.00 1.84 1.98 0.00 3.28 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 127 N 8.31 4.28 0.00 2.77 2.74 0.00 0.00 7.24 7.77 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 0.00 128 P 0.00 3.75 0.00 2.23 1.94 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 129 I 7.73 3.53 1.87 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.94 0.57 0.00 0.00 130 N 8.07 4.33 0.00 2.86 3.03 0.00 0.00 6.96 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.56 3.71 2.05 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 1.60 0.89 0.92 0.00 0.00 132 A 8.51 3.82 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 0.00 133 Y 8.47 3.65 0.00 2.05 1.86 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 0.00 134 A 7.78 4.00 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 0.00 135 T 8.16 3.83 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 1.18 0.00 0.00 136 M 8.10 3.97 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.72 0.00 137 E 8.24 3.87 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 138 A 8.53 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.73 3.76 0.00 1.78 1.66 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.18 3.76 0.00 1.80 2.08 0.00 3.39 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 141 Q 7.57 4.39 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.77 0.00 142 L 7.77 4.57 0.00 1.71 1.64 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.37 4.77 0.00 1.61 1.72 0.00 3.30 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 144 T 9.47 4.70 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 0.00 145 K 8.81 3.69 0.00 1.77 1.88 0.00 1.74 0.00 0.00 1.96 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.42 7.81 146 A 7.67 4.19 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 0.00 147 D 6.99 4.45 0.00 2.87 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 0.00 148 V 7.92 3.76 2.25 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 1.10 0.00 0.00 0.92 0.00 0.00 149 E 8.26 4.04 0.00 2.19 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 2.71 2.31 0.00 150 R 7.89 3.88 0.00 1.83 2.05 0.00 3.25 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 151 L 7.99 4.24 0.00 1.75 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.26 4.69 0.00 1.73 1.89 0.00 3.15 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 153 K 8.02 4.05 0.00 1.74 1.30 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.58 1.38 7.81 154 G 9.51 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 0.00 0.00 0.00 *155 E 7.99 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.