NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2562 8.2985 120.2483 56.2744 30.7546 176.3053 2 A 4.0051 8.5437 126.1252 53.4107 18.9029 176.5830 3 A 4.1029 7.9739 117.5060 53.7289 20.5813 175.6675 4 V 4.6887 7.4926 116.1325 61.6691 32.8370 175.5025 5 T 4.6953 8.9065 118.7644 60.1090 71.2484 173.2063 6 Q 5.2041 8.8479 124.7921 54.6158 31.4745 175.0640 7 S 4.6838 8.9341 116.0205 56.5586 66.0657 172.3562 8 P 4.9762 0.0000 0.0000 61.6867 33.7082 174.8071 9 R 4.4549 8.3993 116.7384 58.4067 31.3614 176.2304 10 N 5.5541 8.0053 114.8752 51.2690 42.4379 174.1014 11 K 4.6083 9.2341 124.1791 54.7570 36.1606 174.7055 12 V 4.9702 8.5448 126.2489 61.0738 33.7218 174.2635 13 A 5.0103 9.0806 128.7570 50.2496 22.7825 175.2089 14 V 4.6039 8.2065 112.1350 59.8441 34.1887 176.3198 15 T 4.0296 8.0851 119.9058 65.6447 68.8618 174.8408 16 G 4.3391 9.6831 114.9364 44.5767 0.0000 173.1415 17 E 3.9118 8.0821 120.6473 56.7239 30.8244 176.1269 18 K 4.8788 8.4816 127.1925 54.8928 32.9994 175.5653 19 V 4.3527 8.5427 128.2544 61.3313 34.1568 174.5375 20 T 4.7334 8.2176 123.1152 61.7106 71.3110 173.2932 21 L 4.2727 8.4234 127.8904 54.0346 43.3716 176.2610 22 S 5.2855 8.9489 119.2511 56.9460 66.0390 172.3466 23 C 5.6440 9.0149 123.3942 54.8944 47.8468 172.1169 24 N 5.8191 8.9600 122.7919 51.9409 42.2837 172.9328 25 Q 5.6120 9.3122 123.4726 53.3599 31.5675 175.1428 26 T 4.6296 8.4644 114.5388 61.7769 69.0873 175.0983 27 N 4.3627 8.5065 119.0694 53.8624 39.2274 174.8084 28 N 4.2051 7.9570 115.1729 54.8110 37.2884 173.2844 29 H 4.8928 8.0145 111.8697 54.6503 30.2175 175.4421 30 N 4.5671 8.6677 119.2813 55.3537 39.0146 175.0697 31 N 5.4860 7.7797 116.0637 52.0196 40.1354 174.6895 32 M 5.0718 7.7504 121.6157 53.8199 36.7387 173.7809 33 Y 5.5640 9.5047 118.6708 56.3013 43.4244 174.6688 34 W 5.3919 9.4208 119.6627 55.8402 32.6674 174.5280 35 Y 5.4060 10.2708 124.0017 56.2981 41.1167 175.1369 36 R 5.0711 8.9977 116.2685 54.6894 33.3198 173.9217 37 Q 4.9774 9.3179 123.2897 53.8638 32.3690 174.9924 38 D 5.0608 8.4199 127.8020 52.8613 39.8481 176.0941 39 T 4.2459 8.4481 104.8043 63.3357 70.5539 173.9837 40 G 3.9867 8.4719 109.1757 46.5386 0.0000 174.5696 41 H 4.7336 7.3593 118.5475 54.8214 28.5090 174.5578 42 E 4.0270 8.8791 126.4480 58.0113 30.0272 177.0199 43 L 4.8486 8.4462 125.9908 53.8135 43.4350 176.0182 44 R 4.8452 9.1664 122.4777 53.9724 33.5258 175.1022 45 L 3.6241 8.4660 125.4309 55.5792 42.9651 176.1569 46 I 4.1343 9.0118 126.9715 62.7738 38.9276 174.9759 47 Y 5.3140 7.8141 118.1469 56.8907 42.7741 172.9918 48 Y 5.3458 8.9879 119.8525 55.9395 42.7024 173.6665 49 S 4.3998 8.1779 113.1942 57.1068 65.3933 174.4357 50 Y 4.4968 8.1456 123.7448 57.9925 38.3418 175.5658 51 G 4.0214 7.1428 107.3064 44.1724 0.0000 171.2417 52 A 4.2588 8.0587 122.2274 53.8971 18.5276 178.2005 53 G 4.0114 8.8751 110.8898 45.1475 0.0000 173.5840 54 S 4.6177 7.7193 114.4888 57.8547 63.5550 174.1965 55 T 4.5755 8.3552 123.0943 62.7100 71.6154 172.7207 56 E 4.5732 8.9427 127.0131 53.8226 32.5595 176.1605 57 K 2.9687 8.5121 123.9963 55.4207 32.5834 177.1732 58 G 4.2275 8.5926 118.8378 47.0822 0.0000 175.4027 59 D 4.8046 9.0493 123.0243 54.5686 41.8239 176.9000 60 I 4.6662 7.1746 110.2196 58.6969 37.0522 173.3473 61 P 4.5513 0.0000 0.0000 64.4188 32.4242 177.1042 62 D 4.3093 8.0264 120.1857 56.3734 40.9220 176.5405 63 G 3.6375 8.7668 113.2215 45.3538 0.0000 171.9530 *65 Y 5.1861 7.2392 115.5445 57.9618 39.3416 174.3722 66 K 4.5813 8.9943 122.3923 54.6128 36.0972 174.6511 67 A 4.8299 7.6954 125.2457 50.2976 22.9848 175.3755 68 S 4.3863 8.5514 113.2128 56.8293 66.1695 174.0234 69 R 5.4343 8.4217 128.8037 54.0542 28.1902 174.0623 70 P 4.3361 0.0000 0.0000 65.2858 32.0038 176.7264 71 S 4.5432 7.2529 111.0597 57.0288 65.6586 172.7771 72 Q 4.0307 8.9319 120.3014 59.6801 28.9961 177.6925 73 E 4.4510 8.1109 113.3075 56.4430 29.6093 174.5488 74 N 5.9301 7.8776 117.1570 50.7534 41.7552 173.2361 75 F 5.6842 8.9751 125.3470 56.6333 42.8645 173.1069 76 S 5.0898 9.0764 121.1043 56.4220 65.8370 172.5907 77 L 4.4570 7.7065 124.7479 53.4026 44.0607 174.9666 78 T 4.8391 8.7754 122.3831 61.7017 72.1146 173.0060 79 L 4.5959 9.0470 127.2951 53.2179 42.4420 176.7535 80 E 3.8147 8.7378 126.6667 58.9510 31.0526 176.1049 81 S 4.9301 8.0582 114.8319 55.6850 64.9801 172.6980 82 A 4.5121 8.9322 129.6195 52.2784 19.3349 176.0540 83 T 4.8140 8.4172 114.8892 59.6126 70.9805 172.8510 84 P 4.5028 0.0000 0.0000 65.6523 31.5576 178.6631 85 S 4.2696 8.0322 111.2170 60.5617 63.0998 174.7881 86 Q 4.4459 8.5292 119.7393 56.4862 29.0388 175.0347 87 T 4.2965 7.7971 114.8255 62.4299 68.0027 173.3716 88 S 4.5444 8.6605 122.3768 58.2894 67.4126 174.6058 89 V 4.5906 7.9081 121.8606 61.6580 32.9228 173.9758 90 Y 5.1301 9.1740 126.5947 56.7012 39.8273 174.6617 91 F 5.7114 9.6623 123.2213 55.9306 42.5110 173.5220 92 C 4.9800 9.4920 122.5307 54.7797 41.5727 172.3430 93 A 5.7099 8.8736 125.1752 49.7211 22.7172 174.9647 94 S 5.2650 8.2404 112.9092 56.9230 67.2266 172.9471 95 G 4.2667 8.9769 104.5069 45.3338 0.0000 174.3481 96 G 4.2452 8.7693 111.5910 44.5868 0.0000 173.7869 97 G 3.9298 8.1295 107.6676 47.0315 0.0000 172.6415 98 G 3.8018 8.2287 112.9203 45.7174 0.0000 176.7183 *105 T 3.9092 8.4787 116.3955 62.8846 69.3790 172.4618 106 L 4.6121 7.9258 124.1545 53.0520 44.2062 175.2444 107 Y 4.7027 8.7423 121.8775 56.3847 39.9107 175.2752 108 F 5.0532 9.1411 123.2614 56.5333 40.6721 175.9061 109 G 4.1445 9.2009 109.4148 45.0403 0.0000 174.8025 110 A 4.2702 8.7287 122.4067 53.5718 18.5672 178.6119 111 G 3.7334 8.3176 101.6207 45.2669 0.0000 173.2177 112 T 4.6818 8.3199 114.9578 61.6444 72.4629 173.3974 113 R 4.6013 9.2893 128.9354 55.3884 31.4601 174.6962 114 L 5.2478 8.8216 129.1323 53.4212 44.7809 175.1386 115 S 5.0865 8.9690 121.9395 56.6518 66.4957 173.2506 116 V 4.7239 8.3596 123.1378 61.1340 33.2792 174.4408 117 L 4.5347 8.8210 131.6409 53.8653 43.6847 176.8659 118 S 5.0577 8.4777 118.5582 58.1281 63.2387 173.8755 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 E 8.30 4.26 0.00 2.08 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 1.94 1.47 0.00 2 A 8.54 4.01 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 3 A 7.97 4.10 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 4 V 7.49 4.69 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 0.87 0.00 0.00 1.00 0.00 0.00 5 T 8.91 4.70 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 6 Q 8.85 5.20 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 7 S 8.93 4.68 0.00 3.90 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 8 P 0.00 4.98 0.00 2.22 2.08 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 9 R 8.40 4.45 0.00 2.00 1.98 0.00 3.35 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 10 N 8.01 5.55 0.00 2.59 2.66 0.00 0.00 6.58 7.61 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 11 K 9.23 4.61 0.00 1.78 1.54 0.00 1.44 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.38 7.81 12 V 8.54 4.97 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 0.85 0.00 0.00 0.93 0.00 0.00 13 A 9.08 5.01 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 14 V 8.21 4.60 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 0.69 0.00 0.00 0.98 0.00 0.00 15 T 8.09 4.03 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 1.23 0.00 0.00 16 G 9.68 4.34 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 0.00 17 E 8.08 3.91 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 2.26 2.25 0.00 18 K 8.48 4.88 0.00 1.75 1.66 0.00 1.56 0.00 0.00 2.24 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.20 7.81 19 V 8.54 4.35 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 0.75 0.00 0.00 0.89 0.00 0.00 20 T 8.22 4.73 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 1.10 0.00 0.00 21 L 8.42 4.27 0.00 0.55 1.24 -0.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.95 5.29 0.00 3.82 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 23 C 9.01 5.64 0.00 2.89 3.10 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 24 N 8.96 5.82 0.00 3.00 2.61 0.00 0.00 6.61 7.06 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 25 Q 9.31 5.61 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.23 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 26 T 8.46 4.63 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 27 N 8.51 4.36 0.00 2.56 2.17 0.00 0.00 7.09 8.00 0.00 0.00 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 N 7.96 4.21 0.00 2.81 2.88 0.00 0.00 7.03 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 29 H 8.01 4.89 0.00 3.35 3.37 0.00 5.72 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 30 N 8.67 4.57 0.00 2.81 3.08 0.00 0.00 6.96 6.92 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 31 N 7.78 5.49 0.00 2.78 2.40 0.00 0.00 6.42 8.16 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 32 M 7.75 5.07 0.00 1.83 1.32 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 33 Y 9.50 5.56 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 34 W 9.42 5.39 0.00 3.54 3.10 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 35 Y 10.27 5.41 0.00 3.17 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 36 R 9.00 5.07 0.00 1.30 1.45 0.00 2.61 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 37 Q 9.32 4.98 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 38 D 8.42 5.06 0.00 2.77 2.65 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 39 T 8.45 4.25 4.36 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 1.23 0.00 0.00 40 G 8.47 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 41 H 7.36 4.73 0.00 3.18 3.14 0.00 5.87 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.88 4.03 0.00 2.00 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 2.35 2.38 0.00 43 L 8.45 4.85 0.00 1.52 1.75 0.62 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.17 4.85 0.00 1.73 1.83 0.00 3.16 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 45 L 8.47 3.62 0.00 1.35 1.40 0.48 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.01 4.13 2.05 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.87 0.62 0.00 0.00 47 Y 7.81 5.31 0.00 2.93 3.01 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 48 Y 8.99 5.35 0.00 2.51 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 49 S 8.18 4.40 0.00 3.09 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 50 Y 8.15 4.50 0.00 3.02 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 51 G 7.14 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 0.00 0.00 0.00 52 A 8.06 4.26 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 53 G 8.88 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 54 S 7.72 4.62 0.00 3.96 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 55 T 8.36 4.58 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 1.31 0.00 0.00 56 E 8.94 4.57 0.00 1.16 1.14 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 1.72 1.74 0.00 57 K 8.51 2.97 0.00 1.45 1.43 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.08 1.38 7.81 58 G 8.59 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 0.00 0.00 0.00 0.00 59 D 9.05 4.80 0.00 2.61 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 60 I 7.17 4.67 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.70 0.95 0.00 0.00 61 P 0.00 4.55 0.00 2.08 1.78 0.00 3.78 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 1.97 1.88 0.00 62 D 8.03 4.31 0.00 2.70 2.69 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 0.00 0.00 0.00 0.00 63 G 8.77 3.64 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 0.00 *65 Y 7.24 5.19 0.00 3.34 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 66 K 8.99 4.58 0.00 1.70 1.46 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.15 1.28 7.81 67 A 7.70 4.83 0.54 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 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.55 4.39 0.00 3.84 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.42 5.43 0.00 2.10 1.85 0.00 3.62 0.00 0.00 3.05 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 70 P 0.00 4.34 0.00 2.24 2.21 0.00 4.17 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 71 S 7.25 4.54 0.00 4.21 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 72 Q 8.93 4.03 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 73 E 8.11 4.45 0.00 2.32 2.25 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 2.34 2.27 0.00 74 N 7.88 5.93 0.00 2.74 2.81 0.00 0.00 6.58 8.01 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 75 F 8.98 5.68 0.00 2.99 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 76 S 9.08 5.09 0.00 3.91 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 77 L 7.71 4.46 0.00 0.27 0.13 0.67 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.78 4.84 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 1.15 0.00 0.00 79 L 9.05 4.60 0.00 1.48 1.57 0.79 0.83 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 E 8.74 3.81 0.00 2.02 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 2.33 2.33 0.00 81 S 8.06 4.93 0.00 3.83 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 82 A 8.93 4.51 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 83 T 8.42 4.81 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 1.17 0.00 0.00 84 P 0.00 4.50 0.00 2.22 2.12 0.00 3.64 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 2.12 2.10 0.00 85 S 8.03 4.27 0.00 3.99 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 86 Q 8.53 4.45 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 87 T 7.80 4.30 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 88 S 8.66 4.54 0.00 3.97 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 89 V 7.91 4.59 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 0.57 0.00 0.00 0.95 0.00 0.00 90 Y 9.17 5.13 0.00 3.00 3.17 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 0.00 91 F 9.66 5.71 0.00 3.28 3.20 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 0.00 92 C 9.49 4.98 0.00 1.23 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 0.00 0.00 0.00 0.00 93 A 8.87 5.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.24 5.27 0.00 3.96 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 95 G 8.98 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 96 G 8.77 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 0.00 0.00 0.00 0.00 97 G 8.13 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 0.00 0.00 0.00 0.00 98 G 8.23 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 *105 T 8.48 3.91 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 0.32 0.00 0.00 106 L 7.93 4.61 0.00 1.19 1.14 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.74 4.70 0.00 2.85 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 0.00 108 F 9.14 5.05 0.00 2.81 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 0.00 109 G 9.20 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 0.00 0.00 0.00 0.00 110 A 8.73 4.27 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 0.00 111 G 8.32 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 0.00 0.00 0.00 112 T 8.32 4.68 4.36 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 1.27 0.00 0.00 113 R 9.29 4.60 0.00 1.85 2.01 0.00 3.20 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 114 L 8.82 5.25 0.00 1.78 1.65 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.97 5.09 0.00 3.81 3.72 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 0.00 116 V 8.36 4.72 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 0.79 0.00 0.00 1.00 0.00 0.00 117 L 8.82 4.53 0.00 1.80 1.64 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.48 5.06 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.