NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 N 4.6530 8.4249 119.1996 53.7740 39.4257 173.6110 -5 L 4.0717 8.1994 124.8028 54.0462 41.8389 174.9345 -4 Y 4.0742 8.9469 119.7147 57.3317 39.6765 174.8413 -3 F 4.9976 8.2139 121.2293 55.0397 40.8714 175.1213 -2 Q 4.1781 8.1596 123.6043 55.8375 29.1028 176.2702 -1 G 3.9756 8.5102 112.1258 45.7642 0.0000 173.0365 0 H 4.8488 9.1095 117.0158 55.5169 30.6189 172.6277 -4 Y 4.0742 8.9469 119.7147 57.3317 39.6765 174.8413 -3 V 4.4976 7.9439 120.1293 59.5397 34.1714 175.6213 -2 T 4.1881 7.9896 117.4043 61.9375 69.5028 174.9702 -1 I 4.1856 8.1802 123.2258 61.7642 40.7264 174.5365 0 V 4.2388 8.7195 118.0158 62.7169 34.5189 174.8277 7 Y 5.3189 9.4268 126.1820 56.4465 40.1513 174.6448 8 A 5.1353 9.4154 125.5493 50.1454 22.4480 174.4574 9 S 5.0935 8.7908 116.4487 56.4416 65.0785 172.6968 10 V 4.7014 8.3866 127.0172 60.5293 33.9001 175.6078 11 K 4.1061 8.9526 126.7753 56.6553 32.6121 178.1558 12 T 3.8470 8.5969 116.8709 64.8078 67.3900 174.4237 13 D 4.8051 7.9558 118.0770 52.9486 39.7087 176.4655 14 K 4.2127 7.9235 117.1089 56.0653 33.6967 178.1781 15 T 4.0077 7.9205 112.4171 65.0986 68.7583 176.2989 16 E 4.0090 8.0982 120.8702 58.8315 29.5772 179.0092 17 A 3.7513 7.5695 120.4420 54.9116 18.3465 179.2630 18 F 4.3602 8.2815 119.5711 61.4088 39.4304 177.4738 19 K 3.7934 8.1428 118.1273 59.3135 31.6328 178.9562 20 E 3.9071 7.9085 118.0245 59.3461 29.7153 178.4047 21 A 4.2603 7.9644 119.4201 55.5722 18.7107 179.4513 22 T 4.1298 8.0870 114.4164 66.3176 68.3546 176.9220 23 R 3.9078 7.8866 118.8545 57.3847 30.5024 177.3577 *25 N 4.5331 8.0523 116.1285 53.5091 40.8618 175.5540 26 H 4.0127 8.8091 117.4811 59.6292 29.6122 176.8985 27 E 3.8594 8.1486 118.8079 59.4286 29.6042 178.9808 28 Q 4.0271 7.6835 117.2766 58.4531 29.0277 178.4073 29 S 4.6163 7.9992 118.1507 60.6695 62.4710 176.2717 30 I 4.1355 7.1792 115.5088 62.2515 37.4358 177.3497 31 R 4.2721 7.3122 118.4613 55.5872 31.1213 176.3420 32 E 4.1103 7.7233 120.4300 55.0878 30.1223 174.3816 33 P 4.2685 0.0000 0.0000 64.7723 31.6230 176.6913 34 G 4.0786 9.0322 110.7225 46.3445 0.0000 172.4320 35 N 4.2928 7.9615 118.7010 53.0293 39.8834 173.5079 *37 R 4.1581 8.0662 118.5645 55.6189 31.7889 175.5692 38 F 4.7462 8.0186 121.8730 57.2557 38.5626 173.8931 39 D 4.6935 8.7151 121.7022 54.2233 42.7547 177.2744 40 I 4.8793 8.3429 123.4959 59.7332 38.9506 174.9263 41 L 4.9799 9.2725 127.3071 52.8071 45.4783 175.3302 42 Q 4.6955 8.4498 122.1145 53.8459 31.6130 175.0299 43 S 4.1622 8.7025 121.7700 58.3508 62.4013 174.1583 44 A 4.1161 8.7505 129.8186 55.2374 18.5467 178.3748 45 D 4.4261 7.9899 114.4467 56.0821 41.5767 175.9800 46 D 4.6362 7.9927 118.4918 51.5715 42.8317 174.2043 47 P 4.1547 0.0000 0.0000 64.9418 31.6753 177.4574 48 T 4.3557 8.2324 107.6608 61.8959 69.5586 173.9065 49 R 5.1560 7.7490 122.9009 54.7483 32.4629 175.2547 50 F 5.3785 9.4180 121.5078 55.7442 44.0225 173.8722 51 V 5.6104 8.9890 120.2371 61.3817 34.7508 174.1023 52 L 4.8693 8.5936 127.3813 53.4128 43.3260 175.5912 53 Y 4.2821 8.9135 127.3700 56.3326 39.4363 173.8595 54 E 4.5019 8.1707 126.2725 54.4061 31.0866 175.3418 55 A 5.1216 8.5883 127.2962 50.2336 21.1287 174.7586 56 Y 4.8853 8.5829 118.9496 55.7683 41.5230 175.8105 57 K 4.3464 9.2088 123.4794 59.3959 33.0706 177.0473 58 T 4.8034 7.9077 107.6991 58.6041 72.2341 174.2842 59 R 2.8376 8.5944 122.0649 59.2840 29.8593 178.7960 60 K 3.8302 7.7747 117.9816 59.6893 32.2352 178.7930 61 D 4.1907 7.8717 119.6373 57.1345 40.5399 178.5555 62 A 2.6041 7.0986 119.2322 54.6560 18.5241 179.1837 63 A 3.8324 7.7495 119.0717 55.1110 18.2890 179.6177 64 A 4.0757 7.7037 120.6193 54.9134 18.4827 179.0396 65 H 4.0082 7.5331 115.9830 59.5541 29.6240 177.0084 66 K 3.1719 7.3577 117.1513 57.3781 31.9198 177.9182 67 E 4.3770 8.0705 119.1151 55.7170 30.1667 175.8673 68 T 4.2649 7.0849 109.9447 60.5428 70.3156 175.7856 69 A 4.0245 8.6012 125.5605 55.6168 18.3480 179.9047 70 H 4.1973 8.1209 113.2953 58.8725 28.6214 177.0109 71 Y 4.0935 7.4836 121.9071 60.5835 38.6359 178.2573 72 L 3.8438 8.0204 119.8114 57.8258 41.6923 179.6465 73 T 3.7631 8.2549 116.1484 66.2731 68.4407 176.2897 74 W 4.0475 8.2999 130.3245 60.4818 30.2211 177.7331 75 R 3.3432 8.1112 118.8132 59.6063 29.2440 178.2558 76 D 4.1703 7.5414 117.0355 57.3635 40.8031 178.2886 77 T 3.5894 7.2948 112.7848 64.1524 67.6125 176.1836 78 V 3.0405 6.9333 112.3514 61.1405 31.5927 177.7966 79 A 3.7690 6.6703 121.3684 55.3591 18.1746 178.8608 80 D 4.4743 7.5203 112.5367 56.1122 41.6485 177.4528 81 W 4.6389 7.7596 122.1560 55.1716 27.4625 176.4181 *83 A 4.3024 7.7334 122.5634 51.7626 20.4150 176.5811 84 E 4.7289 7.4358 110.8193 54.3960 32.6614 173.2032 85 P 4.3967 0.0000 0.0000 62.4735 31.8965 177.0167 86 R 4.4882 8.4983 121.1764 56.3273 31.3717 175.8128 87 K 4.6205 9.1495 122.3857 54.7420 35.0672 174.8593 88 G 4.8533 8.9932 114.6425 44.5365 0.0000 172.4496 89 V 4.5690 8.5719 124.2989 61.0860 33.7664 174.6852 90 I 4.8387 8.2368 128.5637 60.7795 38.3141 174.7833 91 Y 4.6736 8.1180 122.1212 56.2205 42.1323 174.5801 92 G 4.0632 8.7703 109.2784 44.5969 0.0000 173.5159 93 G 3.8469 8.7090 112.9955 46.3742 0.0000 173.3267 94 L 4.1833 8.7050 126.1721 56.6692 42.3887 176.9050 95 Y 4.8728 7.2826 113.4615 55.0582 41.5497 173.5972 96 P 4.6398 0.0000 0.0000 62.6679 32.3428 176.4561 97 T 3.7622 8.3840 108.7201 62.0076 68.8472 174.3908 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 -6 N 8.42 4.65 0.00 2.72 2.82 0.00 0.00 6.94 6.89 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 -5 L 8.20 4.07 0.00 1.37 1.33 0.80 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 -4 Y 8.95 4.07 0.00 3.17 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 F 8.21 5.00 0.00 3.14 2.93 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 -2 Q 8.16 4.18 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 -1 G 8.51 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 0 H 9.11 4.85 0.00 3.08 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 Y 8.95 4.07 0.00 3.17 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 V 7.94 4.50 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 1.35 0.00 0.00 0.93 0.00 0.00 -2 T 7.99 4.19 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 -1 I 8.18 4.19 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 1.34 0.58 0.91 0.00 0.00 0 V 8.72 4.24 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 0.77 0.00 0.00 0.93 0.00 0.00 7 Y 9.43 5.32 0.00 2.95 2.93 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 8 A 9.42 5.14 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 9 S 8.79 5.09 0.00 3.92 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 10 V 8.39 4.70 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.14 0.00 0.00 11 K 8.95 4.11 0.00 1.86 1.73 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.54 7.81 12 T 8.60 3.85 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 1.21 0.00 0.00 13 D 7.96 4.81 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 4.21 0.00 1.64 1.17 0.00 0.77 0.00 0.00 1.30 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.21 1.33 7.81 15 T 7.92 4.01 4.52 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 1.42 0.00 0.00 16 E 8.10 4.01 0.00 1.94 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 2.39 2.31 0.00 17 A 7.57 3.75 0.18 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 0.00 0.00 18 F 8.28 4.36 0.00 3.25 3.09 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 19 K 8.14 3.79 0.00 2.06 1.89 0.00 2.04 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.67 1.66 7.81 20 E 7.91 3.91 0.00 2.11 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 2.37 2.35 0.00 21 A 7.96 4.26 1.49 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 0.00 0.00 22 T 8.09 4.13 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 1.12 0.00 0.00 23 R 7.89 3.91 0.00 1.99 2.14 0.00 3.25 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 *25 N 8.05 4.53 0.00 2.63 2.82 0.00 0.00 6.71 7.89 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 26 H 8.81 4.01 0.00 3.39 3.60 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.15 3.86 0.00 1.92 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 2.38 2.62 0.00 28 Q 7.68 4.03 0.00 1.58 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 29 S 8.00 4.62 0.00 2.72 2.81 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 30 I 7.18 4.14 1.79 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 1.56 1.31 0.83 0.00 0.00 31 R 7.31 4.27 0.00 1.94 1.96 0.00 3.12 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 32 E 7.72 4.11 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 33 P 0.00 4.27 0.00 2.06 2.06 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 34 G 9.03 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 35 N 7.96 4.29 0.00 2.66 2.60 0.00 0.00 7.12 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 *37 R 8.07 4.16 0.00 1.88 2.02 0.00 3.26 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 38 F 8.02 4.75 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 39 D 8.72 4.69 0.00 2.72 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 40 I 8.34 4.88 1.89 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 1.39 0.89 1.01 0.00 0.00 41 L 9.27 4.98 0.00 1.56 1.53 0.84 0.54 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 42 Q 8.45 4.70 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.91 0.00 0.00 0.00 0.00 0.00 1.96 1.47 0.00 43 S 8.70 4.16 0.00 3.82 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 44 A 8.75 4.12 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 45 D 7.99 4.43 0.00 2.66 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 46 D 7.99 4.64 0.00 2.62 2.43 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 47 P 0.00 4.15 0.00 2.06 2.07 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 48 T 8.23 4.36 4.52 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 1.23 0.00 0.00 49 R 7.75 5.16 0.00 1.89 1.84 0.00 3.18 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 50 F 9.42 5.38 0.00 3.10 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.99 5.61 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 0.89 0.00 0.00 0.78 0.00 0.00 52 L 8.59 4.87 0.00 1.33 1.10 1.24 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.91 4.28 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 54 E 8.17 4.50 0.00 1.80 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.04 0.00 55 A 8.59 5.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.58 4.89 0.00 2.90 2.87 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 0.00 0.00 0.00 57 K 9.21 4.35 0.00 1.80 2.06 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.48 7.81 58 T 7.91 4.80 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 1.23 0.00 0.00 59 R 8.59 2.84 0.00 1.68 1.76 0.00 3.03 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.00 60 K 7.77 3.83 0.00 1.92 1.94 0.00 1.50 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 61 D 7.87 4.19 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.10 2.60 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.83 1.18 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 0.00 0.00 64 A 7.70 4.08 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 65 H 7.53 4.01 0.00 3.07 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.36 3.17 0.00 1.59 1.52 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.96 7.81 67 E 8.07 4.38 0.00 2.14 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 2.23 2.23 0.00 68 T 7.08 4.26 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 1.24 0.00 0.00 69 A 8.60 4.02 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 70 H 8.12 4.20 0.00 3.36 3.57 0.00 5.47 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.48 4.09 0.00 2.82 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 72 L 8.02 3.84 0.00 1.89 1.68 0.96 0.92 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 73 T 8.25 3.76 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 1.22 0.00 0.00 74 W 8.30 4.05 0.00 3.40 3.30 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 75 R 8.11 3.34 0.00 1.35 1.70 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 76 D 7.54 4.17 0.00 2.60 2.56 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 77 T 7.29 3.59 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 1.12 0.00 0.00 78 V 6.93 3.04 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 0.23 0.00 0.00 -0.26 0.00 0.00 79 A 6.67 3.77 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.52 4.47 0.00 2.54 2.78 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 81 W 7.76 4.64 0.00 3.52 2.98 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 *83 A 7.73 4.30 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 84 E 7.44 4.73 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 85 P 0.00 4.40 0.00 2.10 2.06 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 86 R 8.50 4.49 0.00 1.87 2.14 0.00 3.57 0.00 0.00 3.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 87 K 9.15 4.62 0.00 1.91 1.82 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.40 7.81 88 G 8.99 4.85 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 0.00 0.00 0.00 89 V 8.57 4.57 2.47 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 0.75 0.00 0.00 1.16 0.00 0.00 90 I 8.24 4.84 1.74 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 1.32 0.68 0.53 0.00 0.00 91 Y 8.12 4.67 0.00 2.71 2.78 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 92 G 8.77 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.71 3.85 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 0.00 0.00 0.00 94 L 8.70 4.18 0.00 1.44 1.15 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.28 4.87 0.00 2.98 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 96 P 0.00 4.64 0.00 2.22 2.11 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 97 T 8.38 3.76 3.93 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.