NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 S 4.4546 8.3344 117.1032 57.6139 63.4047 173.1651 7 Q 3.9337 8.5258 127.9081 53.9306 29.6180 174.1577 8 A 4.1618 8.1568 127.5617 51.4264 20.0396 175.2172 9 P 4.7286 0.0000 0.0000 62.9403 32.8068 175.4536 10 Y 4.4772 8.8875 119.8826 57.6787 38.9604 174.3696 11 L 4.8903 8.6594 124.6023 53.7707 43.5637 177.2051 12 S 4.0586 9.1265 120.2082 57.8093 60.9627 170.9976 13 P 4.3358 0.0000 0.0000 62.2035 32.2882 176.5066 14 A 4.1582 8.4387 124.2319 52.0152 19.1379 176.8477 15 V 4.4531 8.0454 121.6216 60.3562 33.1098 173.8841 16 P 4.7531 0.0000 0.0000 62.9393 32.1147 175.2513 17 F 5.0319 9.2978 124.4282 56.6365 42.8556 173.8266 18 S 4.5482 7.5426 119.7259 56.6932 66.5934 173.6046 19 G 3.9479 8.6455 110.9171 44.5515 0.0000 172.0878 20 T 4.5966 8.9196 119.9687 63.4879 69.7588 174.3127 21 I 4.1477 8.7937 127.1296 59.4580 38.5901 175.4349 22 Q 4.0902 8.9823 128.2870 57.4069 28.6033 177.5745 23 G 3.7751 8.8674 111.9048 44.3459 0.0000 173.8584 24 G 4.0024 7.9558 108.6030 44.0667 0.0000 173.4729 25 L 4.2834 8.5003 119.1810 54.9303 42.1371 177.3168 26 Q 4.8722 8.4003 120.6623 53.5462 32.1526 174.2726 27 D 4.1110 8.8512 120.6248 56.2359 41.4141 177.2896 28 G 3.9928 9.0424 116.0972 44.7053 0.0000 173.2162 29 L 4.1991 8.0703 123.2668 55.1131 43.5281 175.3034 30 Q 5.1589 8.8681 126.5260 54.4716 31.9694 173.6587 31 I 5.0208 9.1250 127.8320 59.9821 39.9388 174.5767 32 T 5.0878 8.8637 124.1287 61.7832 71.1648 173.6139 33 V 4.5512 9.2871 126.5361 61.2607 34.0091 173.4709 34 N 4.6961 8.1268 127.9976 51.9805 41.0703 173.9373 35 G 3.8456 6.5497 111.4609 46.2912 0.0000 171.4243 36 T 5.0836 8.1555 116.3182 61.6568 72.9719 173.7939 37 V 3.9616 8.6455 126.6917 62.3892 32.5977 175.5259 38 L 4.2771 8.2573 128.2616 54.9786 41.7440 177.8294 39 S 4.1970 8.6784 118.7446 61.4489 63.3861 175.9922 40 S 4.6739 7.5054 113.3716 57.7054 62.7293 173.8823 41 S 4.5828 7.9892 110.6109 59.1031 63.7965 173.6056 42 G 3.9090 8.6979 104.8603 45.8845 0.0000 173.2821 43 T 4.8228 8.3771 105.0683 61.2267 70.3860 173.5431 44 R 5.2494 7.8537 119.9381 55.3990 35.0897 173.6259 45 F 5.4589 8.5051 115.0656 55.5365 42.2281 173.0313 46 A 4.8072 9.1362 119.9401 50.2582 22.9379 175.0747 47 V 4.6775 8.7762 121.0861 61.1012 33.8800 174.1512 48 N 5.2367 9.2018 125.1837 51.4095 41.9594 173.2922 49 F 4.9885 9.0473 123.2378 55.9409 40.9357 174.9438 50 Q 4.9723 9.1572 121.4702 54.9158 32.9190 174.2297 51 T 4.3873 8.6775 117.0326 63.1295 69.0352 176.2623 52 G 3.6148 8.9383 118.6547 44.8592 0.0000 171.8558 53 F 4.5434 8.4827 115.7624 57.8596 39.7690 177.3946 54 S 4.1393 8.1239 115.6145 59.7474 63.0437 175.6078 55 G 3.8880 8.2095 106.4456 45.4757 0.0000 173.6124 56 N 4.3370 7.9663 117.8322 54.8473 39.9408 174.1527 57 D 5.1304 8.0177 118.2497 52.1041 43.0495 173.3896 58 I 4.6721 8.3334 123.3944 59.2337 38.5236 176.2157 59 A 4.3102 8.9797 130.8004 54.6708 19.2281 177.4657 60 F 5.0359 8.2449 118.3270 57.5567 42.6713 172.7570 61 H 5.2511 9.7002 127.8770 53.8247 31.6968 173.1389 62 F 4.4612 8.6269 128.9958 56.4871 41.4330 173.3323 63 N 4.8302 7.8473 125.3782 49.3845 39.6070 170.4618 64 P 4.1059 0.0000 0.0000 61.6886 33.1972 175.1128 65 R 4.4590 8.2406 122.6313 53.8731 33.2191 176.0100 66 F 4.9363 8.8752 127.1906 55.5603 36.6374 175.3516 67 E 4.7178 7.6763 118.8565 56.1303 34.0369 175.2581 68 D 4.5147 10.0019 119.6539 55.4498 38.4873 175.0793 69 G 3.8526 8.1982 107.2774 44.6535 0.0000 174.3010 70 G 3.8214 9.8690 108.8427 46.2684 0.0000 172.2644 71 Y 4.9232 7.9775 121.5800 56.1918 42.2174 173.4534 72 V 4.3899 8.8422 119.2081 60.9660 34.8472 174.0843 73 V 4.5140 8.1162 127.8753 61.6364 33.4599 174.0842 74 C 5.4129 8.8131 125.2042 58.2573 31.4098 172.6356 75 N 5.4442 8.6961 120.4922 53.5695 43.2486 172.6628 76 T 5.3985 8.8671 116.0977 61.7569 72.9499 173.0880 77 R 4.7366 9.1091 126.1493 54.4777 32.6478 174.5376 78 Q 4.7879 8.5635 124.6586 54.5732 32.5593 175.3006 79 N 4.1656 10.5690 122.6722 54.2267 36.8141 175.7183 80 G 3.8030 8.2839 106.0209 45.2920 0.0000 174.2728 81 S 4.6524 7.7343 117.0588 56.3394 64.4432 173.4628 82 W 4.7481 8.6211 125.5474 56.8994 29.7250 176.9288 83 G 4.3074 8.8049 112.0076 44.7447 0.0000 170.7583 84 P 4.6717 0.0000 0.0000 62.6859 31.9397 176.3775 85 E 4.4184 8.9237 123.6421 56.4145 30.6414 176.0738 86 E 4.6521 9.3600 123.6352 55.0380 31.5405 174.9949 87 R 5.0521 8.6143 124.0643 54.3232 32.3853 175.6942 88 K 4.4866 8.9982 126.2241 54.6010 33.8016 176.3177 89 T 4.7242 8.4981 118.8609 62.4979 69.4440 173.9965 90 H 4.8694 8.2802 117.8727 55.1180 31.7468 173.3281 91 M 4.4412 8.5837 123.1105 53.3014 32.4519 173.5002 92 P 4.2628 0.0000 0.0000 63.2121 32.1080 176.1451 93 F 4.8438 7.5351 117.4855 56.3688 41.2071 174.8846 94 Q 4.7520 8.4570 119.5529 54.0166 32.4791 175.0065 95 K 3.7798 8.4310 122.1672 58.0826 32.3379 177.4568 96 G 3.9238 8.8814 112.3037 45.3452 0.0000 172.7842 97 M 4.8579 7.7851 119.8075 52.5368 34.6708 174.0383 98 P 4.9232 0.0000 0.0000 63.0644 32.6787 175.2629 99 F 5.2658 8.6460 115.5785 55.6165 42.2460 172.7421 100 D 5.1648 9.6496 119.9860 52.4816 43.7513 174.7565 101 L 5.1170 9.1706 126.0698 53.4139 44.8769 174.6945 102 C 5.3242 8.9944 124.0518 57.9223 31.7316 172.8483 103 F 5.2602 9.6086 122.4073 55.5985 41.4772 174.0591 104 L 5.0648 9.2153 126.4032 53.1819 44.4130 175.2368 105 V 3.6970 8.7345 127.6108 62.5236 32.2556 174.9566 106 Q 4.8943 8.1791 125.8441 52.7286 32.3622 176.8487 107 S 4.0721 8.8082 116.0686 61.2683 63.0312 175.9127 108 S 4.7851 7.7916 112.6315 58.3895 64.5471 172.5802 109 D 4.5204 7.1537 119.3283 52.5372 43.0062 173.9932 110 F 4.9509 8.9291 118.3401 56.0284 41.2122 175.2696 111 K 4.7912 8.9755 122.7786 54.7318 34.6629 175.4826 112 V 4.6700 8.6322 123.9203 61.4202 34.2723 173.9552 113 M 5.0864 8.9283 127.9673 53.5819 35.1175 175.1239 114 V 4.5309 8.4405 122.2135 61.4959 34.5792 175.3793 115 N 4.2440 10.2761 126.6771 54.4635 36.5821 175.3922 116 G 3.9736 8.5175 103.5581 45.3896 0.0000 173.6184 117 I 4.4885 7.4134 120.4647 58.5936 39.9657 174.8034 118 L 4.1938 8.6480 127.1376 55.6873 42.4814 175.2405 119 F 5.0324 9.5269 128.6571 59.5590 40.7036 175.7905 120 V 4.5195 7.5869 116.2250 60.3369 34.5837 172.6020 121 Q 5.1657 8.5405 119.2539 54.6638 31.6195 174.3533 122 Y 4.5881 8.5675 121.3346 55.7656 41.7073 174.4154 123 F 4.4997 8.4769 125.9873 57.1467 39.9157 175.4759 124 H 4.4114 8.7080 120.7642 56.6229 28.9785 175.7077 125 R 4.5319 8.7834 121.6172 56.5255 31.5614 176.5865 126 V 4.6079 7.5292 108.9021 58.2826 35.8776 173.3692 127 P 4.2252 0.0000 0.0000 62.9278 31.7001 177.8307 128 F 4.5163 8.4246 118.3866 59.3966 38.2585 177.0200 129 H 4.4755 7.3565 115.8965 57.8641 28.4345 176.2385 130 R 4.0035 7.0769 116.5142 56.9981 30.4099 176.1511 131 V 4.3623 7.8381 120.5887 61.7918 32.8228 175.5749 132 D 5.1728 8.8241 125.0350 53.0768 41.6671 174.8417 133 T 4.9519 7.8116 115.1551 62.2950 73.1196 172.2407 134 I 4.6655 8.8699 126.3273 59.3070 40.7157 174.3911 135 S 5.1885 8.8040 124.2025 56.7613 67.2245 173.1575 136 V 5.0300 8.9566 122.4350 61.3589 34.9170 173.9904 137 N 5.2646 9.1034 124.0060 51.9525 41.3103 173.8871 138 G 4.0999 8.8345 103.9404 45.1085 0.0000 174.5673 139 S 4.7286 8.7042 112.6915 57.1844 60.9836 174.3802 140 V 4.5482 7.2422 117.8813 60.2172 34.9896 175.5460 141 Q 4.6362 9.0932 124.1838 54.3552 31.7521 173.9148 142 L 4.7219 8.2657 125.0617 53.6131 43.9954 177.0170 143 S 4.4149 8.7712 120.2156 60.5876 64.2730 173.7138 144 Y 5.3718 7.0703 115.3368 55.9230 41.4018 173.1744 145 I 5.1604 8.9144 121.4718 59.6546 40.4576 174.9181 146 S 4.9865 9.1088 120.8762 56.4269 66.8946 172.8241 147 F 5.1877 8.2159 118.1000 56.6556 42.3338 174.9982 148 Q 3.9873 9.3065 123.7650 56.6891 30.4151 172.8713 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 S 8.33 4.45 0.00 3.65 3.76 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 7 Q 8.53 3.93 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 8 A 8.16 4.16 1.19 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 0.00 0.00 9 P 0.00 4.73 0.00 2.07 2.02 0.00 3.73 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 1.93 1.90 0.00 10 Y 8.89 4.48 0.00 2.87 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 11 L 8.66 4.89 0.00 1.55 1.61 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.13 4.06 0.00 3.89 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 13 P 0.00 4.34 0.00 1.29 1.45 0.00 3.63 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 1.55 1.38 0.00 14 A 8.44 4.16 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 15 V 8.05 4.45 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 1.01 0.00 0.00 0.97 0.00 0.00 16 P 0.00 4.75 0.00 2.14 2.07 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 17 F 9.30 5.03 0.00 3.25 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 18 S 7.54 4.55 0.00 3.67 3.76 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 19 G 8.65 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 0.00 0.00 0.00 20 T 8.92 4.60 4.41 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 1.30 0.00 0.00 21 I 8.79 4.15 1.95 0.00 0.00 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 1.58 0.85 0.98 0.00 0.00 22 Q 8.98 4.09 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 23 G 8.87 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 24 G 7.96 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 25 L 8.50 4.28 0.00 2.18 1.75 1.18 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.40 4.87 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.05 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 27 D 8.85 4.11 0.00 2.84 2.63 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 28 G 9.04 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 29 L 8.07 4.20 0.00 1.91 1.67 1.09 0.92 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 30 Q 8.87 5.16 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 31 I 9.13 5.02 2.31 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.75 1.02 0.00 0.00 32 T 8.86 5.09 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 33 V 9.29 4.55 2.37 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 1.17 0.00 0.00 1.16 0.00 0.00 34 N 8.13 4.70 0.00 1.80 1.42 0.00 0.00 6.52 7.59 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 35 G 6.55 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 36 T 8.16 5.08 4.14 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 0.00 0.00 1.22 0.00 0.00 37 V 8.65 3.96 2.27 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 0.90 0.00 0.00 0.91 0.00 0.00 38 L 8.26 4.28 0.00 1.52 1.53 0.91 0.82 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 39 S 8.68 4.20 0.00 3.81 3.86 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 40 S 7.51 4.67 0.00 3.88 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 41 S 7.99 4.58 0.00 3.79 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 42 G 8.70 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 43 T 8.38 4.82 4.49 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 1.24 0.00 0.00 44 R 7.85 5.25 0.00 1.70 1.65 0.00 3.02 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 45 F 8.51 5.46 0.00 3.26 3.06 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 46 A 9.14 4.81 1.09 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 47 V 8.78 4.68 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 0.47 0.00 0.00 1.16 0.00 0.00 48 N 9.20 5.24 0.00 2.51 2.70 0.00 0.00 6.51 8.64 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 49 F 9.05 4.99 0.00 2.94 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 50 Q 9.16 4.97 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 51 T 8.68 4.39 4.21 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 1.20 0.00 0.00 52 G 8.94 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 4.54 0.00 3.06 3.06 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 54 S 8.12 4.14 0.00 3.97 4.01 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 0.00 0.00 0.00 55 G 8.21 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 0.00 0.00 0.00 56 N 7.97 4.34 0.00 2.68 2.78 0.00 0.00 6.77 7.46 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 57 D 8.02 5.13 0.00 2.50 2.53 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 58 I 8.33 4.67 1.80 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 1.14 0.64 1.12 0.00 0.00 59 A 8.98 4.31 1.56 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 60 F 8.24 5.04 0.00 2.77 2.52 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 61 H 9.70 5.25 0.00 3.57 3.57 0.00 5.82 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.63 4.46 0.00 2.29 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 63 N 7.85 4.83 0.00 2.07 2.28 0.00 0.00 7.06 7.32 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 64 P 0.00 4.11 0.00 0.94 1.32 0.00 2.20 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.13 0.00 65 R 8.24 4.46 0.00 0.67 1.29 0.00 2.46 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.13 0.00 66 F 8.88 4.94 0.00 2.88 3.02 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 67 E 7.68 4.72 0.00 2.00 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 2.33 2.35 0.00 68 D 10.00 4.51 0.00 2.94 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 69 G 8.20 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 70 G 9.87 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 71 Y 7.98 4.92 0.00 3.20 2.94 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 72 V 8.84 4.39 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 0.31 0.00 0.00 0.90 0.00 0.00 73 V 8.12 4.51 1.85 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 0.80 0.00 0.00 0.96 0.00 0.00 74 C 8.81 5.41 0.00 3.18 2.66 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 0.00 0.00 0.00 0.00 75 N 8.70 5.44 0.00 2.82 2.79 0.00 0.00 6.66 7.32 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 76 T 8.87 5.40 4.50 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 1.39 0.00 0.00 77 R 9.11 4.74 0.00 0.67 1.24 0.00 2.21 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 78 Q 8.56 4.79 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.02 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 79 N 10.57 4.17 0.00 2.75 2.84 0.00 0.00 7.19 7.53 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 80 G 8.28 3.80 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 0.00 0.00 0.00 81 S 7.73 4.65 0.00 3.94 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 82 W 8.62 4.75 0.00 3.22 3.11 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 83 G 8.80 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 0.00 0.00 0.00 0.00 84 P 0.00 4.67 0.00 2.15 2.13 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 85 E 8.92 4.42 0.00 1.90 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 2.27 2.34 0.00 86 E 9.36 4.65 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 2.34 2.41 0.00 87 R 8.61 5.05 0.00 1.66 1.89 0.00 3.08 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 88 K 9.00 4.49 0.00 1.77 1.72 0.00 1.36 0.00 0.00 1.18 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 1.46 7.81 89 T 8.50 4.72 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 1.15 0.00 0.00 90 H 8.28 4.87 0.00 3.34 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 8.58 4.44 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.46 0.00 92 P 0.00 4.26 0.00 1.41 1.53 0.00 3.49 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.44 0.00 93 F 7.54 4.84 0.00 3.24 3.24 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 94 Q 8.46 4.75 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.06 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 95 K 8.43 3.78 0.00 1.53 1.50 0.00 1.44 0.00 0.00 1.48 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.54 7.81 96 G 8.88 3.92 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 0.00 97 M 7.79 4.86 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 98 P 0.00 4.92 0.00 1.99 1.97 0.00 3.74 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 1.98 1.94 0.00 99 F 8.65 5.27 0.00 3.27 3.37 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 0.00 100 D 9.65 5.16 0.00 2.58 2.60 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 0.00 0.00 0.00 101 L 9.17 5.12 0.00 2.10 2.01 0.47 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 102 C 8.99 5.32 0.00 2.79 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 0.00 103 F 9.61 5.26 0.00 3.05 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 0.00 104 L 9.22 5.06 0.00 1.72 1.52 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.73 3.70 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 -0.06 0.00 0.00 0.79 0.00 0.00 106 Q 8.18 4.89 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.55 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 107 S 8.81 4.07 0.00 3.89 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 0.00 108 S 7.79 4.79 0.00 4.19 4.18 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 0.00 109 D 7.15 4.52 0.00 2.10 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 0.00 0.00 0.00 0.00 110 F 8.93 4.95 0.00 2.69 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 0.00 111 K 8.98 4.79 0.00 1.65 1.69 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 112 V 8.63 4.67 2.29 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 0.27 0.00 0.00 1.21 0.00 0.00 113 M 8.93 5.09 0.00 1.94 1.88 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 2.51 2.53 0.00 114 V 8.44 4.53 1.69 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 0.23 0.00 0.00 0.55 0.00 0.00 115 N 10.28 4.24 0.00 2.74 2.82 0.00 0.00 7.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.52 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 0.00 117 I 7.41 4.49 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 1.18 0.96 0.93 0.00 0.00 118 L 8.65 4.19 0.00 1.59 1.60 0.98 0.69 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 0.00 119 F 9.53 5.03 0.00 2.89 3.21 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 0.00 120 V 7.59 4.52 1.44 0.00 0.00 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 0.00 0.00 0.89 0.00 0.00 121 Q 8.54 5.17 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 122 Y 8.57 4.59 0.00 2.73 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 0.00 0.00 0.00 123 F 8.48 4.50 0.00 2.78 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 0.00 124 H 8.71 4.41 0.00 3.26 3.55 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.78 4.53 0.00 1.94 2.05 0.00 3.36 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 126 V 7.53 4.61 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 0.81 0.00 0.00 1.07 0.00 0.00 127 P 0.00 4.23 0.00 2.01 1.95 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 2.09 2.07 0.00 128 F 8.42 4.52 0.00 3.09 2.96 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 0.00 129 H 7.36 4.48 0.00 3.14 3.08 0.00 5.72 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 0.00 130 R 7.08 4.00 0.00 1.93 1.94 0.00 3.21 0.00 0.00 3.07 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.54 0.00 131 V 7.84 4.36 2.45 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 1.32 0.00 0.00 1.14 0.00 0.00 132 D 8.82 5.17 0.00 2.74 2.79 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 0.00 133 T 7.81 4.95 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 0.70 0.00 0.00 134 I 8.87 4.67 1.86 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.11 1.24 0.00 0.00 135 S 8.80 5.19 0.00 3.77 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 0.00 136 V 8.96 5.03 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 1.22 0.00 0.00 1.00 0.00 0.00 137 N 9.10 5.26 0.00 2.87 2.89 0.00 0.00 6.76 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 0.00 138 G 8.83 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.70 4.73 0.00 3.90 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 0.00 140 V 7.24 4.55 1.67 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 0.57 0.00 0.00 0.54 0.00 0.00 141 Q 9.09 4.64 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 142 L 8.27 4.72 0.00 1.64 1.37 0.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.77 4.41 0.00 3.85 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 0.00 144 Y 7.07 5.37 0.00 3.07 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 0.00 145 I 8.91 5.16 2.01 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.57 0.76 0.00 0.00 146 S 9.11 4.99 0.00 3.81 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 0.00 147 F 8.22 5.19 0.00 2.99 3.06 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 0.00 148 Q 9.31 3.99 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.