NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2580 8.3144 119.9989 56.0236 34.0291 175.4219 2 E 3.7431 8.2753 120.3197 56.0480 30.1021 175.0042 3 T 4.0862 8.7352 118.2648 61.3796 72.0652 175.0036 4 A 4.0231 8.5052 123.3803 55.1931 18.4676 179.9638 5 A 4.1405 7.9942 118.7079 55.3926 18.5253 179.6082 6 A 4.0276 8.2620 119.3972 55.0744 18.3330 179.7947 7 K 4.1474 8.3049 119.7228 59.0021 32.1710 178.8479 8 F 4.1239 8.4786 121.0366 61.4212 39.3467 177.0193 9 E 3.9761 8.4051 118.2321 59.2825 29.0152 179.3538 10 R 3.8676 7.9714 117.9680 59.6242 30.3010 178.2994 11 Q 4.0141 8.0641 116.5335 57.8625 29.0798 176.1987 12 H 4.8525 8.0275 113.9078 53.9331 31.2681 172.9260 13 M 4.8183 7.9889 118.9348 53.6221 34.1524 176.5667 14 D 4.6981 8.9221 122.7617 53.3389 42.8075 174.9663 15 S 5.0119 8.4341 115.3870 57.7325 64.2990 175.9992 16 S 4.6961 7.2435 120.8662 57.7313 61.8468 177.9237 17 T 4.1579 8.4838 112.6099 60.7685 69.2439 173.8009 18 S 4.2322 8.6014 115.1473 61.1537 63.2928 173.4410 19 A 3.7573 7.1099 123.2274 50.7965 20.6723 174.8913 20 A 4.0190 7.1789 119.2698 52.3544 19.3381 177.7177 21 S 4.6549 8.3179 113.4046 58.6650 65.0272 174.2744 22 S 4.6092 7.4398 113.3307 57.2739 65.4254 174.5593 23 S 4.5477 8.5968 114.5571 59.4261 62.6414 175.0218 24 N 4.8375 7.8814 118.4112 53.2362 38.9008 175.1378 25 Y 4.0949 7.7159 121.4153 62.0660 38.7971 177.7269 26 C 4.1191 8.3145 116.9057 59.9392 38.5287 175.7982 27 N 4.4229 8.1759 117.6268 56.4828 38.1527 177.0945 28 Q 3.8824 8.0018 120.8059 59.3013 29.1434 178.0221 29 M 3.7534 7.8114 121.4440 58.0279 31.7945 178.7151 30 M 3.9893 8.1934 119.1540 57.8359 31.9331 178.8540 31 K 4.0414 7.7995 120.9825 58.7180 32.2355 179.1371 32 S 4.0926 8.1270 113.9559 61.1629 63.0578 175.5621 33 R 4.3084 8.0484 117.9497 55.3838 29.8762 175.8559 34 N 4.1896 7.6808 113.9966 54.9479 36.4876 174.7265 35 L 4.6945 8.2135 114.6436 54.8107 42.4812 178.1793 36 T 5.3746 7.5182 106.3088 60.5999 69.5270 175.6864 37 K 4.0794 8.1997 123.1411 59.7614 32.4806 177.2312 38 D 4.4893 7.7638 117.7028 55.4042 42.0573 175.7921 39 R 3.6062 7.0663 113.2839 55.2326 31.6394 174.1729 40 C 4.8330 8.5270 116.3110 55.5896 40.1016 174.0798 *41 K 4.0168 8.5696 125.7653 56.2593 32.0104 175.1278 42 P 4.6713 0.0000 0.0000 65.2473 31.9901 176.4394 43 V 5.0076 7.6033 116.5273 61.1632 34.5476 173.7924 44 N 4.7481 9.2764 125.3585 52.6416 42.8244 172.8221 45 T 4.7517 7.9071 121.8725 61.6676 71.4737 172.9984 46 F 4.9185 8.9247 124.7519 55.6687 41.9303 174.5293 47 V 4.4628 9.0772 124.1705 61.9474 32.7461 175.6755 48 H 5.5701 9.0562 123.7731 55.3213 29.9308 175.2386 49 E 4.2154 8.1419 118.5670 55.2122 30.5581 176.9760 50 S 4.3606 8.3136 114.9325 58.3171 64.9302 174.9111 51 L 3.9952 8.5517 124.3183 58.2909 41.8706 179.1367 52 A 3.9972 8.0051 120.1940 55.4180 18.1626 179.1476 53 D 4.3341 7.8478 115.9947 57.5029 41.1907 179.0166 54 V 3.7761 7.8470 118.6846 66.1793 31.7166 178.1962 55 Q 3.9409 8.5829 117.9485 58.7005 28.5028 178.4213 56 A 4.0809 8.0270 121.3520 54.2622 18.3915 179.5405 57 V 3.4676 7.6546 117.0030 65.7338 31.2986 176.7123 58 C 3.8815 7.6255 113.8393 57.9574 39.9128 174.0417 59 S 4.6864 7.4896 115.7842 58.2385 64.0886 174.3307 60 Q 4.1456 7.1133 120.1047 55.6807 30.5416 178.4295 61 K 4.2817 8.3509 134.5410 56.8658 32.7708 174.8350 62 N 4.2474 8.7552 127.5690 53.5684 39.1424 174.3809 63 V 4.5755 8.3541 118.2738 59.3427 36.7006 174.8720 64 A 4.1384 8.4633 124.9152 52.4562 19.1268 178.1330 65 C 4.8432 8.9046 118.1390 55.2722 41.8952 175.6102 66 K 3.8127 8.5421 120.6023 59.3066 31.5821 178.2010 67 N 4.5412 7.9959 113.7818 52.9178 37.7626 175.3391 68 G 4.0103 7.9103 107.9694 45.8292 0.0000 174.4158 69 Q 4.2724 8.6534 119.0881 56.2367 29.2053 176.1125 70 T 4.7051 8.2070 108.0157 61.6958 69.2526 173.7721 71 N 5.0399 8.0751 117.2405 54.1409 38.6315 174.5623 72 C 5.2798 7.5595 115.1174 56.8985 44.0035 172.6091 73 Y 5.1216 8.9686 118.4691 56.3730 42.1306 173.8798 74 Q 5.0654 9.1029 125.2187 53.9808 31.3450 174.8927 75 S 4.3652 8.7771 122.2341 58.7333 63.1058 174.3434 76 Y 4.4859 9.2030 121.9104 60.6830 37.8997 176.6974 77 S 4.8634 7.8590 113.9621 56.8819 65.0835 173.5884 78 T 4.2578 8.0319 112.0761 61.8748 69.8818 173.7266 79 M 5.0446 9.0090 121.8866 53.3805 36.8077 174.6358 80 S 4.8448 9.3599 117.3104 58.3290 63.7128 173.1590 81 I 5.1443 9.0037 119.9433 59.6922 41.9389 173.9799 82 T 5.0466 8.9300 118.7520 61.8941 72.0916 172.6121 83 D 4.9658 9.3820 127.2033 53.1324 43.1782 174.1872 84 C 5.5113 9.1530 123.9481 55.2724 42.7704 172.8680 85 R 5.1970 8.6760 124.0446 54.0546 32.8166 174.1009 86 E 4.0996 9.3334 128.4599 56.6025 30.2735 176.8655 87 T 4.2100 8.4424 116.1748 61.0387 69.7362 175.7762 88 G 3.6518 8.4769 110.3689 47.6335 0.0000 174.6103 89 S 4.5431 7.2392 114.0378 58.2135 63.6058 174.5517 90 S 4.1454 7.2993 116.3891 58.1109 62.8787 173.4788 91 K 4.4542 8.2784 127.2064 54.8572 34.7576 174.5463 92 Y 4.3692 8.7745 127.6320 57.6744 39.0223 174.2890 93 P 3.3035 0.0000 0.0000 63.4968 32.2920 176.7596 94 N 4.5993 7.3626 118.5945 52.1011 36.8643 173.3984 95 C 4.3056 8.0414 116.1854 56.7348 42.2709 173.2145 96 A 5.1314 8.8007 126.8788 50.3172 21.3981 174.6645 97 Y 5.1838 9.3597 118.6342 56.1365 42.2025 175.0851 98 K 4.5463 9.1006 122.0705 55.6296 34.0802 175.6622 99 T 4.8089 8.5919 121.9503 62.5719 70.1184 174.3225 100 T 4.6680 8.7438 122.7904 61.8527 72.0847 173.4692 101 Q 4.8155 8.8311 125.0545 55.7271 30.2507 174.7179 102 A 4.5496 8.5422 122.4597 51.3759 23.6820 175.0550 103 N 5.6927 8.5124 116.6413 51.2891 41.1986 173.0996 104 K 4.7394 8.2626 124.3518 54.9382 37.8397 174.9670 105 H 4.8721 9.2907 119.1141 55.7754 29.8185 175.2284 106 I 4.7870 8.5840 116.1357 59.4269 40.6060 174.4860 107 I 4.9004 8.2141 124.2806 59.7407 40.2244 175.0860 108 V 4.7526 8.6524 119.3056 59.3140 36.3356 174.4617 109 A 4.9016 8.8474 125.0407 51.3541 20.3313 175.7862 110 C 5.0941 8.5489 119.3088 55.2432 42.4401 173.1127 111 E 4.7389 8.7508 120.9188 56.7242 33.6925 175.8036 112 G 3.8640 9.3233 111.1128 44.8569 0.0000 171.5701 113 N 5.2449 8.2052 115.9615 50.6140 40.8413 172.2084 114 P 4.2963 0.0000 0.0000 63.1352 31.7534 175.9741 115 Y 5.1831 8.2738 121.6285 56.9209 38.3732 174.3225 116 V 4.4083 7.8954 118.0397 57.9882 36.6034 173.2151 117 P 4.4523 0.0000 0.0000 63.0118 31.0753 177.1030 118 V 4.4528 8.5399 115.4459 61.0446 33.7892 175.0945 119 H 4.9365 7.7514 119.1542 55.0867 33.3648 171.8490 120 F 4.7048 8.6952 127.7975 57.1962 39.5136 174.6127 121 D 4.6113 8.5530 127.0809 55.6773 41.8426 175.9064 122 A 4.4840 6.4030 119.0291 52.1975 21.4553 174.4588 123 S 5.2213 8.6564 113.0022 56.8141 65.8668 174.7036 124 V 4.0618 8.9622 115.7477 61.7540 32.3173 175.3899 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 K 8.31 4.26 0.00 1.89 1.98 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.39 7.81 2 E 8.28 3.74 0.00 2.11 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 2.41 2.38 0.00 3 T 8.74 4.09 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 4 A 8.51 4.02 1.36 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 0.00 0.00 0.00 5 A 7.99 4.14 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 6 A 8.26 4.03 1.40 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 0.00 0.00 0.00 7 K 8.30 4.15 0.00 2.05 2.05 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.31 7.81 8 F 8.48 4.12 0.00 3.26 3.29 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 9 E 8.41 3.98 0.00 2.29 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 2.51 2.67 0.00 10 R 7.97 3.87 0.00 1.80 2.09 0.00 3.35 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 1.62 1.67 0.00 11 Q 8.06 4.01 0.00 1.64 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 12 H 8.03 4.85 0.00 1.98 2.69 0.00 5.58 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 13 M 7.99 4.82 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 14 D 8.92 4.70 0.00 2.74 2.61 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 15 S 8.43 5.01 0.00 3.93 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 16 S 7.24 4.70 0.00 4.02 3.07 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 0.00 0.00 0.00 0.00 17 T 8.48 4.16 4.19 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 1.18 0.00 0.00 18 S 8.60 4.23 0.00 3.95 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 19 A 7.11 3.76 1.06 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 20 A 7.18 4.02 0.96 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 0.00 0.00 21 S 8.32 4.65 0.00 3.84 3.87 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 22 S 7.44 4.61 0.00 3.97 3.94 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 23 S 8.60 4.55 0.00 3.91 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 24 N 7.88 4.84 0.00 2.82 2.78 0.00 0.00 6.78 7.41 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 25 Y 7.72 4.09 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 26 C 8.31 4.12 0.00 3.14 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 27 N 8.18 4.42 0.00 2.91 2.93 0.00 0.00 6.78 7.74 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 28 Q 8.00 3.88 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 29 M 7.81 3.75 0.00 0.94 1.31 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.48 0.00 30 M 8.19 3.99 0.00 1.65 1.81 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.30 0.00 31 K 7.80 4.04 0.00 1.97 1.91 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.31 7.81 32 S 8.13 4.09 0.00 3.97 4.07 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 0.00 0.00 0.00 0.00 33 R 8.05 4.31 0.00 1.94 2.11 0.00 3.61 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 34 N 7.68 4.19 0.00 2.88 2.89 0.00 0.00 6.77 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 35 L 8.21 4.69 0.00 1.77 1.60 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.52 5.37 4.43 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 1.46 0.00 0.00 37 K 8.20 4.08 0.00 1.77 1.87 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.40 7.81 38 D 7.76 4.49 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.07 3.61 0.00 1.77 1.68 0.00 2.96 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 40 C 8.53 4.83 0.00 3.04 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 *41 K 8.57 4.02 0.00 1.76 1.79 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.42 7.81 42 P 0.00 4.67 0.00 2.10 2.13 0.00 3.56 0.00 0.00 3.88 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 43 V 7.60 5.01 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 0.83 0.00 0.00 0.97 0.00 0.00 44 N 9.28 4.75 0.00 2.60 2.23 0.00 0.00 6.76 6.88 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 45 T 7.91 4.75 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 0.91 0.00 0.00 46 F 8.92 4.92 0.00 3.01 2.90 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 0.00 0.00 0.00 47 V 9.08 4.46 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 1.07 0.00 0.00 1.08 0.00 0.00 48 H 9.06 5.57 0.00 3.19 3.28 0.00 5.68 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 49 E 8.14 4.22 0.00 2.01 1.94 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 2.36 2.28 0.00 50 S 8.31 4.36 0.00 4.07 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 51 L 8.55 4.00 0.00 1.83 1.75 1.03 1.24 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 52 A 8.01 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 53 D 7.85 4.33 0.00 2.86 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 54 V 7.85 3.78 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 1.23 0.00 0.00 1.07 0.00 0.00 55 Q 8.58 3.94 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 56 A 8.03 4.08 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 57 V 7.65 3.47 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 0.97 0.00 0.00 0.95 0.00 0.00 58 C 7.63 3.88 0.00 2.85 2.61 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 59 S 7.49 4.69 0.00 3.90 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 60 Q 7.11 4.15 0.00 1.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.97 0.00 0.00 0.00 0.00 0.00 1.44 2.06 0.00 61 K 8.35 4.28 0.00 2.03 1.89 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 62 N 8.76 4.25 0.00 2.71 2.63 0.00 0.00 7.00 7.71 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 63 V 8.35 4.58 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 0.75 0.00 0.00 0.80 0.00 0.00 64 A 8.46 4.14 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 65 C 8.90 4.84 0.00 3.13 2.97 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 66 K 8.54 3.81 0.00 1.75 1.88 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.83 7.81 67 N 8.00 4.54 0.00 2.78 2.89 0.00 0.00 6.32 7.00 0.00 0.00 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 G 7.91 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 0.00 0.00 0.00 69 Q 8.65 4.27 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 70 T 8.21 4.71 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 1.17 0.00 0.00 71 N 8.08 5.04 0.00 3.05 3.13 0.00 0.00 6.05 7.68 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 72 C 7.56 5.28 0.00 2.98 2.90 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 0.00 0.00 0.00 73 Y 8.97 5.12 0.00 2.74 2.83 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 74 Q 9.10 5.07 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 75 S 8.78 4.37 0.00 3.92 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 76 Y 9.20 4.49 0.00 3.02 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 77 S 7.86 4.86 0.00 3.91 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 78 T 8.03 4.26 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 0.99 0.00 0.00 79 M 9.01 5.04 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 80 S 9.36 4.84 0.00 3.91 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 81 I 9.00 5.14 1.94 0.00 0.00 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 1.38 0.71 1.04 0.00 0.00 82 T 8.93 5.05 4.48 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 1.37 0.00 0.00 83 D 9.38 4.97 0.00 2.68 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 84 C 9.15 5.51 0.00 2.95 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 85 R 8.68 5.20 0.00 1.98 1.79 0.00 3.14 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 86 E 9.33 4.10 0.00 1.68 1.76 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 2.17 2.06 0.00 87 T 8.44 4.21 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 1.19 0.00 0.00 88 G 8.48 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 89 S 7.24 4.54 0.00 3.85 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 90 S 7.30 4.15 0.00 3.72 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 91 K 8.28 4.45 0.00 1.77 1.57 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.45 7.81 92 Y 8.77 4.37 0.00 2.90 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 93 P 0.00 3.30 0.00 1.78 1.14 0.00 3.63 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 94 N 7.36 4.60 0.00 2.78 2.79 0.00 0.00 6.97 7.97 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 95 C 8.04 4.31 0.00 3.14 3.07 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 0.00 0.00 0.00 0.00 96 A 8.80 5.13 1.13 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 0.00 0.00 97 Y 9.36 5.18 0.00 2.92 2.88 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 98 K 9.10 4.55 0.00 1.76 1.77 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.58 7.81 99 T 8.59 4.81 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 1.33 0.00 0.00 100 T 8.74 4.67 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 1.23 0.00 0.00 101 Q 8.83 4.82 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 102 A 8.54 4.55 1.23 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 0.00 0.00 103 N 8.51 5.69 0.00 2.69 2.70 0.00 0.00 7.12 6.68 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 0.00 104 K 8.26 4.74 0.00 1.74 1.98 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.49 7.81 105 H 9.29 4.87 0.00 3.16 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.58 4.79 1.73 0.00 0.00 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 1.26 0.99 1.11 0.00 0.00 107 I 8.21 4.90 1.78 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 1.15 0.67 0.84 0.00 0.00 108 V 8.65 4.75 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 0.61 0.00 0.00 0.76 0.00 0.00 109 A 8.85 4.90 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 0.00 110 C 8.55 5.09 0.00 2.05 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 0.00 0.00 0.00 111 E 8.75 4.74 0.00 2.00 1.68 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 2.20 2.29 0.00 112 G 9.32 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 0.00 0.00 0.00 113 N 8.21 5.24 0.00 2.63 2.69 0.00 0.00 6.91 7.69 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 0.00 114 P 0.00 4.30 0.00 2.22 2.06 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 115 Y 8.27 5.18 0.00 2.82 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 0.00 116 V 7.90 4.41 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 0.75 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.45 0.00 0.49 0.90 0.00 3.36 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 118 V 8.54 4.45 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 0.64 0.00 0.00 0.91 0.00 0.00 119 H 7.75 4.94 0.00 3.22 3.09 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 0.00 120 F 8.70 4.70 0.00 2.76 2.59 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 0.00 0.00 0.00 0.00 121 D 8.55 4.61 0.00 2.65 2.59 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 0.00 0.00 0.00 0.00 122 A 6.40 4.48 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 0.00 123 S 8.66 5.22 0.00 4.12 4.07 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 0.00 0.00 0.00 0.00 124 V 8.96 4.06 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 0.73 0.00 0.00 1.05 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.