NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7922 8.3393 109.7402 45.6101 0.0000 173.8528 *2 T 4.1282 7.4707 110.2500 60.9737 71.1055 174.2731 3 I 3.6000 8.2255 122.0186 64.7778 37.0705 178.4299 4 A 3.9358 7.8657 120.8164 55.1105 18.1658 179.4641 5 E 3.8409 7.9125 116.6060 59.4599 29.5049 179.4687 6 I 3.3676 7.9228 119.9824 64.1589 37.0898 178.2119 7 A 2.5800 7.8265 121.7245 54.5224 17.9881 179.5631 8 K 3.6981 7.7673 117.9623 59.5830 32.2055 178.4971 9 D 4.2767 8.2322 118.5922 57.2725 41.2116 177.8143 10 F 4.1488 8.1416 121.3830 61.7427 39.2783 177.2085 11 T 3.9195 8.2293 117.7982 67.1222 68.1533 176.9279 12 E 3.9446 8.3678 120.4799 61.3528 29.6956 180.8204 13 L 4.1394 8.1757 120.4672 57.8815 41.6427 179.9426 14 L 3.9628 7.8166 118.5871 57.6465 41.3121 179.6606 15 K 4.0207 8.2163 118.0583 59.4016 32.0712 178.6544 16 Q 4.3010 8.1436 115.4404 55.8465 28.5726 176.7713 17 G 3.8456 7.8854 108.1586 46.7644 0.0000 175.3134 18 D 4.7166 8.0590 120.1215 52.8395 37.9908 176.6761 19 N 4.1950 7.7945 121.7107 56.6749 39.1536 177.1403 20 A 4.1612 8.0205 121.6586 54.9785 18.5576 179.8134 21 G 3.4867 8.3370 104.0056 47.7628 0.0000 175.7860 22 A 4.1366 8.2144 123.1626 54.8719 18.2631 179.6792 23 A 4.1212 8.1265 119.1891 55.3967 18.3365 179.3570 24 E 3.8830 8.1941 116.6975 59.4369 29.7544 178.6954 25 K 3.9070 8.0275 118.3912 58.9669 32.5361 176.9380 26 Y 4.7943 7.9807 115.1510 58.2659 40.1101 175.8002 27 N 4.7560 8.4757 117.5299 53.0457 39.3727 174.7569 28 A 4.2599 9.0126 124.6211 51.8492 19.3981 178.0372 29 D 4.4541 9.0465 120.1393 56.5791 42.1113 177.6936 30 D 5.1568 7.8124 116.1758 52.7000 40.3933 176.7717 31 I 3.9632 7.8414 119.7724 62.8313 39.2816 174.0242 32 A 4.8823 8.7834 130.9723 50.4567 21.0514 175.5862 33 S 5.0754 8.8812 117.4760 56.5373 65.7384 172.2721 34 Y 4.8740 8.9062 124.7488 55.9564 40.3116 175.1210 35 E 4.5290 8.8221 124.5113 55.3287 30.4303 178.1934 36 A 4.1801 7.6207 130.4651 52.8285 17.6174 180.2451 *38 E 4.2445 7.8454 116.8336 54.7850 31.4219 178.7558 39 G 4.0266 7.8832 117.5946 44.2710 0.0000 170.2807 40 P 4.2409 0.0000 0.0000 63.9911 31.2836 176.4889 *42 A 4.3596 7.9106 122.0274 51.2029 21.2463 177.0411 43 V 4.4348 7.6402 114.4011 61.3827 33.1997 175.4874 44 S 4.6798 8.7000 121.9856 56.7337 66.0259 172.0895 45 H 5.1416 8.8754 122.2248 54.8959 31.8997 173.6987 46 G 4.0573 9.2160 111.5645 45.0657 0.0000 174.6353 47 K 3.9287 9.2748 124.7521 59.5972 32.3261 179.3856 48 E 4.0019 8.1830 118.1848 59.1417 29.4003 178.8055 49 A 4.0002 8.0435 120.4656 55.2776 18.4440 179.3039 50 L 3.8958 7.9358 118.6852 58.2402 42.1687 179.0755 51 R 3.9873 8.1573 118.7030 59.5802 29.9069 178.5720 52 Q 4.0655 8.2755 117.8677 58.7852 28.6327 178.5957 53 K 4.0392 8.3116 120.7697 59.7044 32.2707 179.0460 54 S 4.2271 8.7361 115.8238 61.7390 62.7125 176.7950 55 Q 4.0632 8.3379 120.8246 58.6128 28.2603 178.3006 56 W 4.1177 8.4141 128.6792 60.3639 31.1437 177.4752 57 W 4.0672 8.9428 128.4073 60.6111 30.2137 177.9757 58 Q 4.0505 8.3870 118.0771 58.9312 27.9487 178.3061 59 E 3.9786 8.1064 119.0211 58.0639 29.9258 176.7048 60 N 4.4534 7.0466 114.0560 53.0576 39.9759 174.0180 61 H 4.8499 7.1797 114.2085 53.6830 32.9062 172.4063 62 E 4.2691 8.8767 123.9265 54.9518 31.0380 175.0509 63 V 4.3472 8.2062 120.9912 60.8840 31.9276 175.7477 64 H 4.5157 9.7364 124.9524 56.6774 29.9204 175.6262 65 G 3.8655 7.6458 104.5001 46.3562 0.0000 171.6028 66 G 4.5590 7.6739 108.7091 45.1412 0.0000 171.2647 67 S 4.8452 8.3832 113.2861 56.7330 66.9423 173.2511 68 V 4.8595 8.3637 119.8229 61.2743 34.1621 174.2155 69 E 4.5974 10.2309 127.5414 54.6752 32.4156 176.3029 70 G 3.1587 8.2409 109.7301 43.2683 0.0000 170.9716 71 P 4.7807 0.0000 0.0000 62.7689 32.8787 175.2978 72 Y 4.6539 8.8264 119.3844 56.4515 40.0426 174.9309 73 V 4.9494 8.4676 124.0126 61.3727 34.7487 175.0887 74 N 4.6630 9.3022 125.2030 53.4168 41.6450 174.8212 75 G 3.7963 8.2784 118.0538 47.2576 0.0000 172.9656 76 D 4.7673 8.7306 125.2525 53.1479 39.5976 175.0851 77 Q 5.3266 8.1160 118.6008 54.5094 33.5085 174.0458 78 F 5.5586 8.8955 114.7063 55.3032 41.9291 173.2602 79 A 5.3927 9.5681 122.1849 50.3517 22.0398 175.2985 80 L 5.3171 9.2937 120.1893 52.8902 46.4660 175.5186 81 R 4.9031 8.9173 122.3668 54.7155 32.4934 174.3535 82 F 5.5677 9.3748 125.6938 55.6704 42.0443 174.6035 83 K 4.9378 9.2379 126.3859 55.3111 35.3058 175.2682 *84 F 5.2144 8.8627 126.9312 55.5441 42.1769 170.0039 85 D 5.1138 9.0912 124.0266 52.0411 42.2838 175.3367 86 V 4.9075 8.9192 125.5165 60.3028 35.5814 174.7424 87 T 4.7473 8.7384 120.3271 61.2560 70.3641 171.9658 88 P 4.3985 0.0000 0.0000 62.0270 32.0455 178.1233 89 K 3.9909 8.6698 123.7934 59.4172 31.9457 178.5509 90 A 4.0822 8.0579 122.3432 54.3992 18.5815 177.9319 91 T 4.2532 7.7809 104.0120 61.2169 70.5966 175.5907 92 G 3.7655 8.8822 110.6085 46.0195 0.0000 173.1122 93 E 4.5769 7.6971 115.4745 53.3573 31.3394 180.1407 94 R 4.4139 8.4646 125.4515 55.8260 30.9368 175.8940 95 V 4.6468 8.9323 117.7998 60.6495 36.9441 173.9499 96 T 5.6999 8.1983 118.3315 61.0515 71.7985 173.0921 *98 D 4.6413 8.4589 120.8563 54.5889 41.6448 174.0602 99 E 5.1545 9.2432 123.6765 55.2847 34.0948 173.8590 100 V 4.9721 9.2621 120.2720 61.1438 34.3753 174.2502 101 G 4.5091 9.3823 115.1003 44.3331 0.0000 171.7280 102 L 5.0243 8.3047 126.5301 53.1331 44.9128 174.4431 103 Y 4.8016 8.7007 124.1461 56.3884 40.7129 174.6574 104 T 4.8247 8.7509 121.7599 62.0426 70.7018 173.8752 105 V 4.9510 8.9133 129.0295 61.6401 33.9565 175.6833 106 K 4.6213 8.7445 128.3039 54.1342 35.3250 173.1218 107 N 4.2560 9.9543 120.2229 53.6644 36.1702 175.3668 108 G 4.0388 8.5429 102.5970 45.7039 0.0000 173.9985 109 K 4.8708 8.0307 118.4737 54.1619 35.9542 175.5027 110 I 4.6207 8.8926 123.7698 61.6045 37.4856 176.6979 111 T 4.5492 9.1955 118.6995 62.8176 70.5042 174.2684 112 E 5.4062 7.9241 122.4962 54.7251 33.5167 173.3146 113 E 4.6950 9.1341 123.4870 54.3602 32.9903 174.4142 114 R 4.7318 8.1053 123.1451 54.3854 33.3630 173.5877 115 F 5.4226 8.7590 125.0717 55.9872 41.3444 174.6508 116 Y 4.7890 9.4761 120.5339 56.3593 41.0256 175.5330 117 Y 4.4384 8.5558 123.3346 57.9500 39.2967 174.5021 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 0 G 8.34 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 0.00 0.00 0.00 *2 T 7.47 4.13 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 1.20 0.00 0.00 3 I 8.23 3.60 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 1.58 0.94 0.95 0.00 0.00 4 A 7.87 3.94 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 5 E 7.91 3.84 0.00 2.17 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 2.30 2.31 0.00 6 I 7.92 3.37 1.76 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 1.47 0.82 0.29 0.00 0.00 7 A 7.83 2.58 0.64 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 0.00 0.00 8 K 7.77 3.70 0.00 1.86 1.92 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.32 7.81 9 D 8.23 4.28 0.00 2.91 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 10 F 8.14 4.15 0.00 2.68 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 11 T 8.23 3.92 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 1.24 0.00 0.00 12 E 8.37 3.94 0.00 1.95 1.97 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 2.25 2.24 0.00 13 L 8.18 4.14 0.00 1.75 1.71 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.82 3.96 0.00 1.83 1.76 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.22 4.02 0.00 1.86 1.88 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.65 7.81 16 Q 8.14 4.30 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 17 G 7.89 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 0.00 0.00 0.00 18 D 8.06 4.72 0.00 2.75 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 19 N 7.79 4.20 0.00 2.78 2.81 0.00 0.00 6.87 7.51 0.00 0.00 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 8.02 4.16 1.33 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 0.00 0.00 0.00 21 G 8.34 3.49 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 0.00 22 A 8.21 4.14 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 23 A 8.13 4.12 1.48 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 24 E 8.19 3.88 0.00 2.07 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 2.33 2.36 0.00 25 K 8.03 3.91 0.00 1.74 1.78 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.02 7.81 26 Y 7.98 4.79 0.00 3.49 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 27 N 8.48 4.76 0.00 2.91 2.85 0.00 0.00 6.96 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 28 A 9.01 4.26 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 29 D 9.05 4.45 0.00 2.63 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 30 D 7.81 5.16 0.00 2.69 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 31 I 7.84 3.96 2.04 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 1.19 1.54 0.99 0.00 0.00 32 A 8.78 4.88 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 33 S 8.88 5.08 0.00 3.81 3.59 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 34 Y 8.91 4.87 0.00 2.75 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 35 E 8.82 4.53 0.00 1.88 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 2.45 2.37 0.00 36 A 7.62 4.18 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 *38 E 7.85 4.24 0.00 2.03 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 2.13 1.89 0.00 39 G 7.88 4.03 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 0.00 0.00 0.00 40 P 0.00 4.24 0.00 2.01 2.07 0.00 3.68 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 1.99 2.06 0.00 *42 A 7.91 4.36 1.33 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 0.00 0.00 0.00 43 V 7.64 4.43 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 0.40 0.00 0.00 1.01 0.00 0.00 44 S 8.70 4.68 0.00 3.75 3.49 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 45 H 8.88 5.14 0.00 2.99 3.12 0.00 5.72 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 46 G 9.22 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 47 K 9.27 3.93 0.00 2.15 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.53 7.81 48 E 8.18 4.00 0.00 2.11 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 2.45 0.00 49 A 8.04 4.00 1.33 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 0.00 0.00 0.00 50 L 7.94 3.90 0.00 1.96 1.88 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.16 3.99 0.00 2.10 2.06 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 52 Q 8.28 4.07 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 53 K 8.31 4.04 0.00 1.92 1.98 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.42 7.81 54 S 8.74 4.23 0.00 4.08 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 55 Q 8.34 4.06 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 56 W 8.41 4.12 0.00 3.39 3.56 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 57 W 8.94 4.07 0.00 3.81 3.38 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 58 Q 8.39 4.05 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.82 2.61 0.00 59 E 8.11 3.98 0.00 1.95 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 2.18 2.22 0.00 60 N 7.05 4.45 0.00 1.44 1.84 0.00 0.00 6.57 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 61 H 7.18 4.85 0.00 1.77 2.48 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.88 4.27 0.00 1.89 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 2.01 2.16 0.00 63 V 8.21 4.35 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 0.96 0.00 0.00 0.96 0.00 0.00 64 H 9.74 4.52 0.00 3.20 3.36 0.00 5.76 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 65 G 7.65 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 0.00 0.00 0.00 66 G 7.67 4.56 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 0.00 67 S 8.38 4.85 0.00 3.90 3.96 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 68 V 8.36 4.86 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.21 0.00 0.00 69 E 10.23 4.60 0.00 2.01 1.92 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 2.26 2.27 0.00 70 G 8.24 3.16 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 0.00 71 P 0.00 4.78 0.00 2.02 1.93 0.00 3.57 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 72 Y 8.83 4.65 0.00 2.94 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 V 8.47 4.95 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 0.88 0.00 0.00 0.94 0.00 0.00 74 N 9.30 4.66 0.00 2.73 2.64 0.00 0.00 7.16 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 75 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 76 D 8.73 4.77 0.00 3.05 2.91 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 77 Q 8.12 5.33 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 78 F 8.90 5.56 0.00 3.11 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 79 A 9.57 5.39 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 80 L 9.29 5.32 0.00 1.36 1.00 1.20 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.92 4.90 0.00 1.83 1.92 0.00 3.04 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 82 F 9.37 5.57 0.00 3.08 2.91 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 83 K 9.24 4.94 0.00 1.91 1.71 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.44 7.81 *84 F 8.86 5.21 0.00 1.96 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 0.00 0.00 0.00 0.00 85 D 9.09 5.11 0.00 2.82 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 86 V 8.92 4.91 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 0.80 0.00 0.00 0.90 0.00 0.00 87 T 8.74 4.75 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 1.19 0.00 0.00 88 P 0.00 4.40 0.00 1.96 1.74 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 89 K 8.67 3.99 0.00 1.34 1.72 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.16 7.81 90 A 8.06 4.08 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 91 T 7.78 4.25 4.23 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 1.21 0.00 0.00 92 G 8.88 3.77 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 0.00 0.00 0.00 93 E 7.70 4.58 0.00 2.01 1.73 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 2.16 2.08 0.00 94 R 8.46 4.41 0.00 1.81 1.86 0.00 3.04 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 95 V 8.93 4.65 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 0.72 0.00 0.00 1.05 0.00 0.00 96 T 8.20 5.70 4.30 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 1.29 0.00 0.00 *98 D 8.46 4.64 0.00 2.75 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 99 E 9.24 5.15 0.00 2.57 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 0.00 2.36 2.57 0.00 100 V 9.26 4.97 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 0.89 0.00 0.00 0.93 0.00 0.00 101 G 9.38 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.30 5.02 0.00 1.66 1.46 0.82 0.67 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 0.00 103 Y 8.70 4.80 0.00 1.43 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 0.00 0.00 0.00 0.00 104 T 8.75 4.82 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 1.21 0.00 0.00 105 V 8.91 4.95 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 0.77 0.00 0.00 1.06 0.00 0.00 106 K 8.74 4.62 0.00 1.67 1.59 0.00 2.01 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 1.25 7.81 107 N 9.95 4.26 0.00 2.84 2.91 0.00 0.00 7.08 7.65 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 0.00 108 G 8.54 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 0.00 0.00 0.00 109 K 8.03 4.87 0.00 1.79 1.88 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.56 7.81 110 I 8.89 4.62 1.95 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 1.04 0.00 0.00 111 T 9.20 4.55 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 1.24 0.00 0.00 112 E 7.92 5.41 0.00 2.07 1.75 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 2.30 2.65 0.00 113 E 9.13 4.70 0.00 1.42 1.89 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 2.22 2.24 0.00 114 R 8.11 4.73 0.00 1.67 1.58 0.00 2.93 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 0.79 1.27 0.00 115 F 8.76 5.42 0.00 2.94 2.99 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 0.00 116 Y 9.48 4.79 0.00 2.90 2.86 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 0.00 117 Y 8.56 4.44 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.