NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3866 8.0327 111.0720 61.6115 70.8490 171.9540 4 V 4.7533 8.2704 122.2404 60.2775 34.6419 169.3340 5 V 4.4782 9.1813 127.8053 61.0800 34.6609 173.7176 6 R 5.1709 8.5166 127.1685 54.9361 32.7287 173.1650 7 D 4.8822 9.1067 124.0449 53.5790 45.5022 173.2065 8 A 5.0139 8.2708 121.3672 50.9426 22.3354 175.7844 9 V 4.5349 8.7810 118.7241 61.8026 35.6936 173.5874 10 T 5.0384 8.5533 122.9446 62.0601 70.3758 173.9383 11 I 4.6326 9.0202 127.0093 58.5599 40.6988 176.7701 12 G 3.9991 8.9314 117.4367 44.9420 0.0000 173.1647 13 K 4.6975 7.3230 115.6588 52.7316 36.8900 175.8770 14 P 4.3989 0.0000 0.0000 62.7337 33.1397 177.7873 15 A 4.0757 8.5593 122.5843 55.3481 18.0351 180.1285 16 E 3.8425 8.1014 116.7999 59.4799 29.3107 179.1942 17 Q 4.0744 7.9123 118.5225 59.1232 29.4454 177.6297 18 L 4.4271 7.7992 120.1557 57.6957 41.6006 178.6463 19 Y 3.1816 7.7141 119.5074 60.5575 38.4732 178.1443 20 A 3.8002 7.6868 119.4959 55.1125 18.5892 179.5500 21 V 3.6385 7.6454 116.9542 66.0898 31.4501 178.3881 22 W 3.9253 8.2011 116.9688 59.3559 29.1637 178.1575 23 R 4.1239 7.8430 117.8113 57.6356 30.3852 176.8730 24 D 4.4971 7.3383 118.1131 52.8129 40.0387 175.9297 25 L 3.6680 8.0600 125.9547 57.0331 41.6720 177.0981 26 P 4.8374 0.0000 0.0000 64.1958 31.5517 177.8276 27 G 3.6782 7.6635 103.1517 45.0072 0.0000 175.4057 28 L 3.5371 7.4664 122.1133 57.2944 41.3799 177.3949 29 P 4.2311 0.0000 0.0000 64.6749 30.9309 178.3712 30 L 3.9449 7.4580 117.7795 57.3117 41.7169 178.7362 31 L 4.0536 7.2195 117.4550 56.0007 42.9178 177.0447 32 M 4.7866 8.1612 120.7306 52.9565 31.6115 176.3544 33 T 4.2459 9.1161 110.7008 62.6776 69.0621 175.6323 34 H 4.5601 8.1378 116.8129 56.5481 29.3269 175.0175 35 L 4.5241 7.5800 121.0021 53.7264 42.9365 176.2013 36 R 4.3581 8.7000 123.3656 58.4091 31.0819 176.4820 37 S 4.4529 7.2113 109.8230 57.4273 66.1992 174.7074 38 V 4.2268 7.6475 120.4388 61.0712 34.6309 173.2993 39 E 4.7880 8.8249 129.1418 54.0820 32.3545 175.0809 40 V 4.0619 8.3209 126.7106 62.7142 32.2727 175.2783 41 L 4.4044 8.5315 127.5964 56.3851 42.4776 175.6865 42 D 4.5192 7.5984 115.3645 52.6601 41.6246 175.1770 43 D 4.3246 8.9238 118.3081 57.2135 40.9076 177.7467 44 K 4.5805 8.0938 118.0825 56.4006 35.0697 176.3020 45 R 5.2989 10.2573 119.1084 55.1822 32.3855 175.7066 46 S 5.1009 8.9387 115.0401 57.5011 67.1619 172.7080 47 R 4.9643 9.1370 122.3922 54.6419 32.0183 174.6275 48 W 4.8395 8.9694 126.7420 55.2697 31.7315 175.3980 49 T 4.9832 8.4492 119.2376 61.9988 72.6348 173.3964 50 V 4.8218 8.5695 116.7001 59.4118 36.4465 175.0201 51 E 4.6191 8.8410 121.6008 56.8572 30.5994 176.3368 52 A 4.7342 8.8392 122.9897 49.9277 23.2846 174.6951 53 P 4.3854 0.0000 0.0000 61.9992 32.2026 175.7381 54 A 4.3571 8.2520 122.4389 51.9449 18.6771 176.1687 55 P 4.5167 0.0000 0.0000 64.1722 32.3639 177.3417 56 L 3.9677 8.1943 119.1560 57.2556 41.7274 177.7331 57 G 4.2710 9.0610 111.2041 45.1490 0.0000 173.1250 58 T 5.2018 7.2505 107.5264 59.6672 72.6325 172.4415 59 V 4.5733 8.8274 121.1028 61.3400 34.6292 174.1065 60 S 5.3704 8.7656 121.6438 56.6514 65.8574 172.2106 61 W 5.0335 8.3663 119.6703 56.0877 31.9640 172.7565 62 E 5.2952 8.9548 118.9928 55.0070 32.2490 174.9964 63 A 5.1674 9.0575 122.5744 50.8556 23.4123 174.9214 64 E 5.9489 8.8822 117.4741 53.3210 34.1613 175.3129 65 L 5.0651 8.6903 122.1617 55.1836 41.8857 177.1123 66 T 4.5033 8.9077 114.0332 62.6135 70.2121 174.7943 67 A 4.6522 7.8142 122.5123 51.1898 22.7989 175.2832 68 D 5.0124 8.7116 121.5357 53.8278 43.2983 174.3964 69 E 4.5891 9.8459 127.6340 53.5214 32.1199 174.0702 70 P 2.9700 0.0000 0.0000 63.5436 31.6212 177.3043 71 G 3.8475 6.7314 109.0969 45.8015 0.0000 173.2680 72 K 4.7375 8.3445 118.0744 57.3025 35.0901 176.3236 73 R 5.2246 7.7465 113.0123 55.6473 32.5202 173.5332 74 I 5.3751 8.6403 120.6826 59.9963 41.4935 174.2195 75 A 5.1657 9.6657 128.1759 50.2131 23.0493 174.5895 76 W 5.8142 8.2383 115.8885 55.6868 32.4054 173.7027 77 R 5.1266 8.8593 116.1566 54.6981 32.3652 174.7893 78 S 4.7950 8.8537 117.2397 58.6564 63.9484 173.9426 79 L 4.4502 8.4533 121.0036 53.2773 43.3327 174.8636 80 P 4.4225 0.0000 0.0000 64.3980 31.4913 177.1036 81 G 3.9714 9.0393 111.3658 44.9199 0.0000 173.6170 82 A 4.1097 7.6730 124.8405 52.6757 18.2330 177.6423 83 R 3.7705 8.0930 117.9564 58.7722 29.9097 177.1103 84 I 3.9204 7.0255 124.7424 59.7019 37.5413 175.8664 85 E 4.0453 7.9811 127.0726 56.3839 30.1801 176.1688 86 N 5.4182 9.0306 121.9638 51.9767 41.4781 173.2043 87 S 4.7581 8.9058 113.7098 57.6017 67.2950 172.6720 88 G 3.5494 7.5930 105.3236 45.4345 0.0000 172.1135 89 E 4.7945 8.0677 120.2546 54.7675 33.8346 173.8806 90 V 4.5417 8.8069 127.1628 60.8978 34.3220 174.1130 91 L 4.8970 8.2888 127.1780 52.7733 45.2211 175.6627 92 F 5.1702 8.6780 120.9034 56.0494 41.0115 174.8249 93 R 4.9074 8.8966 123.4415 53.0849 33.7324 173.8364 94 P 4.6548 0.0000 0.0000 62.9872 31.8966 175.7110 95 A 4.4268 8.5744 126.2272 50.6492 18.9874 175.8065 96 P 4.3216 0.0000 0.0000 65.5712 32.4748 177.9537 97 G 3.5761 8.3426 100.3288 48.5560 0.0000 174.4711 98 A 4.5381 8.3431 125.7750 51.5498 20.3215 179.6641 99 R 4.2119 8.6721 118.6209 57.1577 29.1849 175.5338 100 G 4.2585 7.9626 110.4422 45.5464 0.0000 169.6140 101 T 5.2353 9.1420 117.4477 61.4922 71.5406 173.0941 102 E 4.7658 9.5989 128.3217 55.2935 31.4837 174.8365 103 V 4.5293 9.2895 127.9669 61.3633 33.5740 174.2485 104 V 4.7162 8.1706 128.8036 61.1148 33.7065 174.3801 105 V 4.6397 8.7864 128.1806 60.9903 34.4167 174.0553 106 R 5.0825 8.8299 127.5981 54.6323 33.0363 173.7350 107 L 5.3847 9.2154 126.6338 53.1558 45.3761 175.6959 108 T 5.1743 8.9050 113.8790 61.2027 72.4984 173.0265 *109 Y 4.9558 8.6560 124.8988 57.3110 41.1895 176.4727 110 R 4.6023 8.9236 126.2852 55.5337 31.8257 171.9302 *127 E 4.2814 8.1426 119.5572 54.6235 32.0662 175.6091 128 P 4.3409 0.0000 0.0000 65.3948 31.4277 178.9883 129 S 4.1389 8.1295 112.1966 61.7894 62.7111 176.2190 130 Q 3.9743 8.0178 122.6567 58.8118 28.9044 177.7549 131 Q 4.0171 8.2404 120.7878 59.0063 29.0063 177.9069 132 L 4.0738 8.4278 121.9898 57.8389 42.0351 178.7402 133 R 4.0863 8.0684 120.0784 59.1109 30.0438 178.0519 134 D 4.4170 8.1594 118.4829 57.5996 40.7921 178.7213 135 D 4.4124 8.2933 119.1027 57.5173 40.8807 178.9726 136 L 4.3020 8.3608 119.6402 58.1151 41.6441 179.5014 137 M 4.1398 8.4838 118.9889 58.3075 31.8233 178.6417 138 R 3.9084 8.2542 118.9449 59.5010 30.2683 178.1573 139 F 4.3630 8.5208 120.4272 61.2631 39.2662 176.7736 140 K 3.5970 8.5283 119.4950 59.4840 32.1138 178.3192 141 R 3.8564 8.3571 119.1437 59.6398 29.8823 178.0270 142 E 3.9387 8.3665 118.1944 59.7049 29.6818 179.4178 143 Q 3.8797 7.8275 117.7443 59.1319 28.5745 178.8172 144 E 4.1352 8.2820 117.7639 58.1980 29.6111 178.2210 145 L 4.5087 7.7877 117.5133 54.2387 42.5583 177.1779 146 G 3.8208 7.5256 108.2674 45.9662 0.0000 174.1278 147 L 3.9947 8.2895 125.7298 54.3943 41.3418 177.0816 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 3 T 8.03 4.39 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 1.19 0.00 0.00 4 V 8.27 4.75 2.05 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 0.74 0.00 0.00 0.89 0.00 0.00 5 V 9.18 4.48 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 0.87 0.00 0.00 0.93 0.00 0.00 6 R 8.52 5.17 0.00 1.77 1.70 0.00 3.43 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 7 D 9.11 4.88 0.00 2.77 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 8 A 8.27 5.01 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 9 V 8.78 4.53 2.22 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 0.99 0.00 0.00 1.02 0.00 0.00 10 T 8.55 5.04 4.26 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 1.23 0.00 0.00 11 I 9.02 4.63 1.89 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 1.09 0.86 0.80 0.00 0.00 12 G 8.93 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 0.00 0.00 0.00 13 K 7.32 4.70 0.00 1.69 1.66 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.34 7.81 14 P 0.00 4.40 0.00 2.16 1.98 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 15 A 8.56 4.08 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 16 E 8.10 3.84 0.00 1.99 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 2.38 2.29 0.00 17 Q 7.91 4.07 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 18 L 7.80 4.43 0.00 1.74 2.20 1.12 1.07 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 19 Y 7.71 3.18 0.00 2.36 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 20 A 7.69 3.80 1.41 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 21 V 7.65 3.64 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 0.88 0.00 0.00 1.13 0.00 0.00 22 W 8.20 3.93 0.00 3.54 3.41 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 23 R 7.84 4.12 0.00 0.95 1.60 0.00 3.30 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 24 D 7.34 4.50 0.00 2.87 2.58 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 25 L 8.06 3.67 0.00 1.53 1.37 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.84 0.00 1.87 1.96 0.00 3.77 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 27 G 7.66 3.68 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 0.00 0.00 0.00 28 L 7.47 3.54 0.00 1.20 1.27 0.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.23 0.00 1.96 2.13 0.00 3.37 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 30 L 7.46 3.94 0.00 1.65 1.55 0.82 0.75 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 31 L 7.22 4.05 0.00 0.88 0.71 -1.13 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.16 4.79 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.69 0.00 33 T 9.12 4.25 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 1.33 0.00 0.00 34 H 8.14 4.56 0.00 3.38 3.52 0.00 5.51 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.58 4.52 0.00 1.58 1.42 0.63 1.02 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 36 R 8.70 4.36 0.00 1.73 1.92 0.00 3.27 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 37 S 7.21 4.45 0.00 3.70 3.74 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 38 V 7.65 4.23 1.65 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 0.05 0.00 0.00 -0.35 0.00 0.00 39 E 8.82 4.79 0.00 1.91 1.64 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 2.13 2.13 0.00 40 V 8.32 4.06 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 0.90 0.00 0.00 0.86 0.00 0.00 41 L 8.53 4.40 0.00 1.81 1.71 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.60 4.52 0.00 2.81 2.77 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 0.00 0.00 0.00 0.00 43 D 8.92 4.32 0.00 2.70 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 K 8.09 4.58 0.00 1.68 1.80 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.40 1.54 7.81 45 R 10.26 5.30 0.00 1.94 1.87 0.00 3.23 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 46 S 8.94 5.10 0.00 3.98 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 47 R 9.14 4.96 0.00 1.85 1.76 0.00 3.02 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 48 W 8.97 4.84 0.00 1.78 2.28 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 49 T 8.45 4.98 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 50 V 8.57 4.82 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 1.13 0.00 0.00 1.26 0.00 0.00 51 E 8.84 4.62 0.00 1.89 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 2.32 2.27 0.00 52 A 8.84 4.73 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 53 P 0.00 4.39 0.00 2.21 2.03 0.00 3.63 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 2.13 2.11 0.00 54 A 8.25 4.36 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 55 P 0.00 4.52 0.00 2.20 2.19 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 56 L 8.19 3.97 0.00 1.85 1.84 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.06 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 0.00 0.00 0.00 0.00 58 T 7.25 5.20 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 1.21 0.00 0.00 59 V 8.83 4.57 2.31 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 1.19 0.00 0.00 1.02 0.00 0.00 60 S 8.77 5.37 0.00 3.85 3.70 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 61 W 8.37 5.03 0.00 3.42 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 62 E 8.95 5.30 0.00 2.01 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 2.36 2.36 0.00 63 A 9.06 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.88 5.95 0.00 1.97 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 2.28 2.15 0.00 65 L 8.69 5.07 0.00 1.66 1.77 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.91 4.50 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 1.22 0.00 0.00 67 A 7.81 4.65 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 68 D 8.71 5.01 0.00 2.80 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 69 E 9.85 4.59 0.00 1.99 1.83 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 2.22 2.29 0.00 70 P 0.00 2.97 0.00 1.77 1.64 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 71 G 6.73 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 72 K 8.34 4.74 0.00 1.76 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.47 7.81 73 R 7.75 5.22 0.00 1.94 2.01 0.00 2.93 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 74 I 8.64 5.38 2.22 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 1.68 1.33 1.30 0.00 0.00 75 A 9.67 5.17 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 76 W 8.24 5.81 0.00 3.50 3.45 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 77 R 8.86 5.13 0.00 1.80 1.93 0.00 2.76 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 78 S 8.85 4.80 0.00 3.75 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 79 L 8.45 4.45 0.00 1.77 1.65 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.42 0.00 2.04 2.00 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 81 G 9.04 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 0.00 0.00 0.00 82 A 7.67 4.11 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 83 R 8.09 3.77 0.00 1.84 1.76 0.00 3.26 0.00 0.00 3.22 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 84 I 7.03 3.92 0.94 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 0.87 0.60 0.00 0.00 85 E 7.98 4.05 0.00 1.93 1.77 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 0.00 2.24 2.19 0.00 86 N 9.03 5.42 0.00 2.75 2.60 0.00 0.00 6.05 7.19 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 87 S 8.91 4.76 0.00 3.69 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 88 G 7.59 3.55 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 0.00 0.00 0.00 89 E 8.07 4.79 0.00 1.72 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 2.05 2.11 0.00 90 V 8.81 4.54 1.77 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 -0.67 0.00 0.00 0.69 0.00 0.00 91 L 8.29 4.90 0.00 1.37 1.36 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.68 5.17 0.00 3.16 3.03 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 0.00 0.00 0.00 93 R 8.90 4.91 0.00 1.72 1.78 0.00 3.10 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 94 P 0.00 4.65 0.00 2.09 2.08 0.00 3.78 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 2.00 1.99 0.00 95 A 8.57 4.43 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 96 P 0.00 4.32 0.00 2.19 2.20 0.00 3.82 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 1.99 1.97 0.00 97 G 8.34 3.58 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 98 A 8.34 4.54 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 99 R 8.67 4.21 0.00 1.79 1.90 0.00 3.45 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 100 G 7.96 4.26 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 0.00 101 T 9.14 5.24 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 1.47 0.00 0.00 102 E 9.60 4.77 0.00 2.03 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 2.25 2.26 0.00 103 V 9.29 4.53 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 0.63 0.00 0.00 1.28 0.00 0.00 104 V 8.17 4.72 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 0.88 0.00 0.00 0.87 0.00 0.00 105 V 8.79 4.64 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 1.03 0.00 0.00 0.72 0.00 0.00 106 R 8.83 5.08 0.00 1.79 1.58 0.00 3.02 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 107 L 9.22 5.38 0.00 1.61 1.61 1.14 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.90 5.17 4.17 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 1.11 0.00 0.00 *109 Y 8.66 4.96 0.00 2.09 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 0.00 0.00 0.00 110 R 8.92 4.60 0.00 1.43 1.79 0.00 3.26 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 *127 E 8.14 4.28 0.00 1.91 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 2.21 1.91 0.00 128 P 0.00 4.34 0.00 2.15 2.14 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 129 S 8.13 4.14 0.00 4.06 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 0.00 130 Q 8.02 3.97 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 131 Q 8.24 4.02 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 132 L 8.43 4.07 0.00 1.84 1.70 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.07 4.09 0.00 2.21 2.10 0.00 3.78 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 134 D 8.16 4.42 0.00 2.93 2.75 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 0.00 135 D 8.29 4.41 0.00 2.96 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 0.00 136 L 8.36 4.30 0.00 1.95 1.91 1.04 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 137 M 8.48 4.14 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.89 0.00 138 R 8.25 3.91 0.00 2.10 2.19 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 139 F 8.52 4.36 0.00 3.17 3.41 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 0.00 140 K 8.53 3.60 0.00 1.97 2.02 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.55 7.81 141 R 8.36 3.86 0.00 1.88 2.13 0.00 3.17 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 1.64 1.69 0.00 142 E 8.37 3.94 0.00 2.20 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 2.35 2.54 0.00 143 Q 7.83 3.88 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 1.98 1.75 0.00 144 E 8.28 4.14 0.00 1.89 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 2.29 2.53 0.00 145 L 7.79 4.51 0.00 1.63 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.53 3.82 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 0.00 0.00 0.00 147 L 8.29 3.99 0.00 1.74 1.46 0.92 0.88 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 * Residues marked with a * may have inaccurate shift predictions.