NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5197 8.1749 117.3732 63.7028 70.1107 172.9261 2 T 4.6146 9.0411 121.1806 60.0623 72.1537 171.4903 3 I 5.1241 9.2310 120.6639 59.3761 41.2957 174.5231 4 V 4.6554 8.9178 116.9113 59.8891 36.5674 174.3794 5 G 4.5323 8.5255 107.9711 44.7721 0.0000 172.4134 6 V 4.5868 9.0793 123.3616 61.1720 34.9571 174.5833 7 K 4.6209 8.8382 127.6792 55.9134 33.2013 176.0063 8 F 5.1088 8.2538 116.3102 54.8615 41.1056 175.9375 9 N 4.1053 8.6588 118.9023 55.7301 37.3296 174.7086 10 N 4.9119 8.3858 115.9063 51.4535 40.2481 174.4920 11 G 3.4843 5.8953 104.3573 45.3831 0.0000 172.5547 12 V 4.8748 7.7865 118.2287 59.9679 34.7256 174.4765 13 V 4.7522 8.9103 120.7919 59.9867 34.5115 174.3595 14 I 5.1538 8.4371 115.8340 59.3837 40.7292 173.9714 15 A 4.8427 8.8589 124.0457 51.2357 23.1774 174.5140 16 A 5.0419 8.1282 118.8043 51.0996 22.1939 175.9521 17 D 4.7318 8.5156 120.5546 52.8054 41.4991 176.2054 18 T 4.7425 8.2311 105.2938 61.4710 70.1181 173.1038 19 R 4.8674 8.5178 122.4725 56.0256 31.4109 175.4666 20 S 4.8913 8.9692 120.4459 56.6755 65.1909 172.7158 21 T 5.1285 8.6175 116.0551 60.0232 72.2711 173.6149 22 Q 4.3426 9.2053 122.4268 53.6404 30.9272 176.2399 23 G 3.6509 8.7510 117.0071 46.5239 0.0000 171.6089 24 P 4.5955 0.0000 0.0000 62.4926 31.9305 175.4023 25 I 4.1775 7.7354 121.5794 60.0015 38.2989 175.1616 26 V 4.2725 8.2378 124.8525 62.0805 31.2400 175.5317 27 A 4.1198 8.9137 131.7518 54.3783 18.6557 176.9362 28 D 4.8554 7.8290 115.1963 52.4984 43.3301 176.0951 29 K 4.3079 8.7011 124.9823 57.6914 33.1091 176.5323 30 N 5.2180 8.2129 118.3106 52.4256 37.9011 173.0517 31 C 4.7940 8.6565 114.5790 57.4364 31.8998 174.1424 32 A 4.7241 8.4305 120.4670 50.4102 20.2389 176.3209 33 K 4.2755 8.8497 121.0613 56.8857 33.8464 176.1668 34 L 5.0411 7.7997 120.9487 53.9214 42.4498 175.5692 35 H 5.0302 9.2150 121.4607 53.8937 32.5285 173.0828 36 R 3.5700 7.8808 119.8792 54.7196 30.9003 175.7614 37 I 4.0707 8.4192 126.6016 62.6756 38.5880 175.8081 38 S 4.5526 7.3376 112.1859 56.0741 65.8315 172.9059 39 P 4.3147 0.0000 0.0000 65.4828 31.1496 178.0705 40 K 4.7835 8.1187 115.5449 55.9931 32.8844 175.3090 41 I 4.8831 8.1694 120.3210 59.7735 40.3414 174.5442 42 W 5.0952 9.1207 126.8674 54.9921 32.4694 174.9914 43 C 5.5067 9.6280 119.6110 57.9801 31.6554 172.8174 44 A 5.1424 9.0255 123.6538 50.1576 21.2033 175.4791 45 G 4.5829 8.8287 109.6815 44.5100 0.0000 172.4930 46 A 4.7778 9.4035 123.4013 50.2694 22.9482 175.3143 47 G 4.0914 9.0657 103.5136 44.7304 0.0000 176.3301 48 T 4.1269 9.5726 124.5816 62.6414 68.3178 174.8436 49 A 3.9979 9.0188 129.4826 55.5471 18.1933 178.8468 50 A 3.9447 8.0366 118.2803 55.3221 18.2970 179.5619 51 D 4.2224 7.8816 117.1152 57.6490 41.1396 178.7459 52 T 3.8409 8.0304 110.4226 64.7907 68.7089 175.8997 53 E 3.6104 8.2850 121.9548 58.9368 29.7317 178.7162 54 A 3.9878 8.1738 121.2094 55.0423 18.4246 179.9812 55 V 3.5908 8.0827 118.0627 65.1553 31.7060 178.8876 56 T 3.8926 7.9114 116.4516 66.3381 68.2157 176.7182 57 Q 4.0006 7.9063 119.6061 58.2502 28.8212 178.2376 58 L 3.8465 7.8199 121.4762 58.4059 42.2679 179.2593 59 I 3.8440 7.7279 119.7304 63.9831 36.9242 178.7979 60 G 3.5193 7.8566 106.6586 47.6114 0.0000 175.7027 61 S 4.0645 8.4114 116.1059 61.3826 62.3897 176.1521 62 N 4.3916 8.2222 119.0253 56.2860 38.1793 177.5660 63 I 3.6990 8.2632 121.7874 64.0208 37.0207 178.1169 64 E 3.9030 8.3212 120.2766 59.4025 29.5782 178.7827 65 L 3.9940 7.8987 119.0400 58.1250 41.5512 179.1391 66 H 4.1067 8.5610 118.3993 59.1179 29.8246 177.2083 67 S 4.1976 8.2866 114.9904 61.5836 62.0551 176.1588 68 L 4.0261 7.9672 120.4006 58.0203 41.4153 178.6703 69 Y 4.1113 8.1086 118.8790 60.2949 37.8033 177.0134 70 T 4.3473 8.4809 109.0551 60.9635 69.2729 175.1183 71 S 3.7235 8.0936 116.6783 59.8307 61.0125 171.8285 72 R 4.7802 7.2185 114.0723 53.9876 33.7873 175.3692 73 E 4.2254 8.5060 118.8986 55.5192 30.1660 175.6575 74 P 4.4687 0.0000 0.0000 62.6731 32.3297 176.0004 75 R 4.8143 8.1695 119.8617 54.2637 32.7381 177.3082 76 V 3.5914 8.9728 122.0633 66.5437 31.5166 179.0961 77 V 3.6748 7.8479 111.1116 64.2797 31.2922 178.6669 78 S 4.0927 8.1535 115.1513 61.4248 62.6997 176.4064 79 A 4.0009 7.8963 123.0102 54.8780 18.0877 179.3279 80 L 3.8889 8.0777 119.1486 58.3249 42.1800 179.0207 81 Q 3.9416 8.1268 119.6252 59.3936 28.7897 178.0034 82 M 4.0988 8.1759 119.8346 58.1221 31.8892 178.8242 83 L 4.0557 8.1510 119.5386 57.7020 41.8285 179.6627 84 K 4.0463 8.2307 118.9075 60.2428 32.3714 179.1856 85 Q 4.0985 8.2114 119.0780 58.4254 28.3309 178.1827 86 H 4.3025 7.8231 118.8832 59.3432 30.1486 176.9691 87 L 4.1713 8.3854 121.2605 57.6342 41.3623 179.3091 88 F 3.9635 8.6861 121.0794 61.1939 39.1590 176.9281 89 K 3.7923 7.7564 117.7465 59.4441 32.0599 177.1084 90 Y 4.2699 7.5590 115.2619 56.6958 38.0705 175.6773 91 Q 2.8641 7.8009 118.2589 56.8536 26.9901 175.9202 *93 G 4.0453 7.9043 104.2815 45.3797 0.0000 174.2819 94 H 4.2449 8.5714 117.1417 57.7430 28.8598 175.6431 95 I 4.1582 7.5124 120.0262 59.6971 36.8373 176.7199 96 G 4.0771 8.5095 117.9474 46.0244 0.0000 170.6798 97 A 5.1445 7.3808 119.7867 50.3573 21.7931 177.1117 98 Y 4.5697 8.9606 120.1404 56.2285 41.0758 174.8846 99 L 5.4206 8.7076 123.1953 52.9144 46.2346 176.2460 100 I 4.5702 8.7339 122.3731 59.7201 39.6259 174.8513 101 V 4.9014 8.5212 127.0139 59.9453 33.4391 174.8535 102 A 4.8236 10.0775 125.8545 49.4728 23.3279 174.6900 103 G 4.6320 7.7278 108.1576 45.0834 0.0000 172.2019 104 V 4.5595 7.6748 113.3343 59.6029 34.4854 176.1531 105 D 4.2570 8.3781 120.8871 53.9755 38.8767 175.0877 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 T 8.17 4.52 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 2 T 9.04 4.61 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 3 I 9.23 5.12 1.90 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 1.37 0.69 0.98 0.00 0.00 4 V 8.92 4.66 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 0.72 0.00 0.00 0.94 0.00 0.00 5 G 8.53 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.08 4.59 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 1.07 0.00 0.00 0.96 0.00 0.00 7 K 8.84 4.62 0.00 1.79 1.66 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.36 7.81 8 F 8.25 5.11 0.00 3.18 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 9 N 8.66 4.11 0.00 2.88 3.07 0.00 0.00 5.74 8.04 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 10 N 8.39 4.91 0.00 2.72 2.91 0.00 0.00 7.08 7.25 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 11 G 5.90 3.48 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 0.00 0.00 0.00 12 V 7.79 4.87 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 0.83 0.00 0.00 1.02 0.00 0.00 13 V 8.91 4.75 2.15 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 1.06 0.00 0.00 0.92 0.00 0.00 14 I 8.44 5.15 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.97 0.00 0.00 15 A 8.86 4.84 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 16 A 8.13 5.04 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 17 D 8.52 4.73 0.00 2.72 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 18 T 8.23 4.74 4.33 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 1.22 0.00 0.00 19 R 8.52 4.87 0.00 1.84 2.04 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 20 S 8.97 4.89 0.00 3.92 3.75 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 21 T 8.62 5.13 4.45 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 1.21 0.00 0.00 22 Q 9.21 4.34 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.84 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 23 G 8.75 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 0.00 0.00 0.00 24 P 0.00 4.60 0.00 2.18 2.16 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 1.94 1.97 0.00 25 I 7.74 4.18 1.99 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 1.18 0.46 0.91 0.00 0.00 26 V 8.24 4.27 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 0.78 0.00 0.00 0.93 0.00 0.00 27 A 8.91 4.12 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 28 D 7.83 4.86 0.00 2.68 2.50 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 29 K 8.70 4.31 0.00 1.79 1.84 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.42 7.81 30 N 8.21 5.22 0.00 2.70 2.69 0.00 0.00 7.17 6.93 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 31 C 8.66 4.79 0.00 3.06 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 32 A 8.43 4.72 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 33 K 8.85 4.28 0.00 1.73 1.99 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.47 7.81 34 L 7.80 5.04 0.00 1.60 1.89 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.22 5.03 0.00 2.97 3.07 0.00 5.59 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.88 3.57 0.00 0.67 1.06 0.00 3.06 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.91 0.00 37 I 8.42 4.07 1.95 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 1.30 0.64 0.86 0.00 0.00 38 S 7.34 4.55 0.00 3.93 3.88 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 39 P 0.00 4.31 0.00 2.12 2.27 0.00 3.64 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 2.07 2.17 0.00 40 K 8.12 4.78 0.00 1.86 1.86 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 41 I 8.17 4.88 1.86 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 1.29 0.73 1.02 0.00 0.00 42 W 9.12 5.10 0.00 3.31 3.19 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 43 C 9.63 5.51 0.00 2.83 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.03 5.14 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 45 G 8.83 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.40 4.78 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 47 G 9.07 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 0.00 0.00 0.00 48 T 9.57 4.13 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 49 A 9.02 4.00 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 50 A 8.04 3.94 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 51 D 7.88 4.22 0.00 2.92 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 52 T 8.03 3.84 4.31 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 1.39 0.00 0.00 53 E 8.28 3.61 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 54 A 8.17 3.99 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 55 V 8.08 3.59 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 0.84 0.00 0.00 0.95 0.00 0.00 56 T 7.91 3.89 4.31 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 1.15 0.00 0.00 57 Q 7.91 4.00 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 58 L 7.82 3.85 0.00 1.79 1.55 0.88 0.98 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 59 I 7.73 3.84 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.24 0.88 0.00 0.00 60 G 7.86 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.41 4.06 0.00 3.87 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 62 N 8.22 4.39 0.00 2.75 2.82 0.00 0.00 7.11 6.59 0.00 0.00 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 I 8.26 3.70 2.06 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 1.49 0.83 0.90 0.00 0.00 64 E 8.32 3.90 0.00 2.02 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 2.31 2.35 0.00 65 L 7.90 3.99 0.00 1.90 1.74 0.92 1.07 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 66 H 8.56 4.11 0.00 3.25 3.46 0.00 5.59 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 67 S 8.29 4.20 0.00 4.05 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 68 L 7.97 4.03 0.00 1.92 1.76 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.11 4.11 0.00 3.07 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 70 T 8.48 4.35 4.27 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 1.18 0.00 0.00 71 S 8.09 3.72 0.00 4.04 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 72 R 7.22 4.78 0.00 1.74 1.81 0.00 3.19 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 73 E 8.51 4.23 0.00 1.98 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 2.33 2.29 0.00 74 P 0.00 4.47 0.00 2.05 1.99 0.00 3.66 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 2.04 2.13 0.00 75 R 8.17 4.81 0.00 1.85 1.81 0.00 3.15 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 76 V 8.97 3.59 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 1.05 0.00 0.00 1.06 0.00 0.00 77 V 7.85 3.67 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 0.77 0.00 0.00 0.93 0.00 0.00 78 S 8.15 4.09 0.00 4.03 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.90 4.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 3.89 0.00 1.91 1.86 0.93 0.63 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 81 Q 8.13 3.94 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.18 4.10 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.53 0.00 83 L 8.15 4.06 0.00 1.88 1.72 0.94 0.69 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 84 K 8.23 4.05 0.00 2.01 2.15 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.53 7.81 85 Q 8.21 4.10 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.72 0.00 86 H 7.82 4.30 0.00 3.25 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.39 4.17 0.00 1.75 1.69 0.88 0.82 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 88 F 8.69 3.96 0.00 3.26 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 89 K 7.76 3.79 0.00 1.88 1.91 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.87 1.30 7.81 90 Y 7.56 4.27 0.00 2.96 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 91 Q 7.80 2.86 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.46 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 *93 G 7.90 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 94 H 8.57 4.24 0.00 3.31 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.51 4.16 1.79 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.56 0.82 0.00 0.00 96 G 8.51 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 97 A 7.38 5.14 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 98 Y 8.96 4.57 0.00 3.08 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 99 L 8.71 5.42 0.00 1.51 1.57 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.73 4.57 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.96 0.00 0.00 101 V 8.52 4.90 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 0.74 0.00 0.00 0.96 0.00 0.00 102 A 10.08 4.82 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 0.00 103 G 7.73 4.63 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 0.00 104 V 7.67 4.56 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 0.75 0.00 0.00 0.97 0.00 0.00 105 D 8.38 4.26 0.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.