NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0375 8.2127 108.0470 46.0353 0.0000 175.1781 3 R 4.8343 9.4915 129.6700 54.0116 32.1056 171.7097 4 I 4.6602 9.1192 127.5084 59.1281 41.0181 173.8391 5 L 4.9930 8.6842 128.5240 53.4442 43.7610 175.3957 6 R 4.9697 9.3053 125.6742 54.7214 32.9214 174.9191 7 E 3.7983 8.2809 118.6984 55.5823 32.6335 174.8775 8 G 3.5208 6.4685 108.0002 44.6093 0.0000 171.7388 9 A 3.9677 8.5174 123.5679 54.1007 16.9935 177.5276 10 G 4.1150 10.3946 110.3146 45.8647 0.0000 171.1885 11 W 5.6628 7.6251 114.7343 55.7189 32.0838 173.6273 12 R 5.1943 9.6358 119.1330 54.9377 34.7983 174.0792 13 L 5.3052 9.6028 124.7797 53.6570 45.6380 175.2570 14 G 4.6952 9.7164 112.8042 44.4940 0.0000 171.1490 15 W 5.7095 9.3445 130.9095 55.9159 34.9214 173.0545 16 D 4.8517 8.3763 127.1216 51.9650 42.0216 175.3519 17 E 3.9014 8.7456 126.3929 59.5535 29.9339 179.8051 18 T 3.8307 7.8335 109.2244 63.5736 69.1401 174.7627 19 A 3.9906 7.5368 128.5151 52.8388 18.7003 177.9213 *20 H 4.3335 8.8054 120.2875 56.6771 28.6530 173.2618 21 R 4.2696 7.9291 116.6399 57.0628 32.5028 174.0192 22 Y 5.2502 7.4704 113.3307 55.7924 37.9635 173.3514 23 P 4.1051 0.0000 0.0000 64.0591 33.2164 177.6566 24 G 4.7027 8.3208 108.5767 45.1765 0.0000 172.7091 25 L 5.3260 8.9544 122.6634 53.5686 45.9568 175.1926 26 V 5.0365 8.5052 118.7377 59.9098 35.9066 174.7880 27 G 4.5412 9.1522 109.8030 46.7566 0.0000 172.6476 28 T 5.5019 8.0529 109.8785 59.8373 71.2319 175.3848 29 T 4.0040 8.6614 116.5804 66.4851 68.6206 174.9065 30 D 4.8081 7.5956 116.1998 53.9735 42.9273 176.4263 31 W 4.7336 8.1356 117.9054 54.8941 31.8187 174.4766 32 A 5.1567 8.1874 122.1665 51.0232 21.7881 176.1206 33 V 4.5946 8.7168 119.8540 59.9803 34.9466 174.7384 34 E 4.7771 8.7479 123.0646 56.2549 30.5530 175.9046 35 L 5.3282 8.7732 122.0850 53.0459 46.1270 176.6598 36 T 4.6769 9.9351 111.3691 60.3719 69.8661 175.6328 37 A 4.4682 8.8427 124.9938 55.6099 18.8110 179.0464 38 A 4.1734 8.2415 118.2663 55.5659 18.7869 179.1222 39 E 4.0060 8.0548 113.6556 57.0639 29.4507 178.8912 *41 A 2.9325 8.1741 123.3077 51.9785 20.4854 179.7948 42 D 4.2906 7.8721 115.6525 57.1681 40.6647 178.7274 43 F 4.0425 8.6051 121.5513 61.4876 39.3754 176.8154 44 C 3.8967 8.0822 115.6515 62.8278 28.0311 175.8228 45 R 3.7477 7.7159 119.9636 59.6385 29.5593 178.5338 46 L 3.9104 7.9248 118.6540 57.3793 41.6479 179.4853 47 V 3.2364 7.5543 118.5488 66.0670 31.3795 178.1889 48 Q 3.8841 8.0116 117.8691 58.7067 28.4905 178.4841 49 Q 3.8434 8.0076 120.5995 59.1074 29.1344 178.3869 50 L 3.7915 7.9366 119.7872 57.7582 41.6033 179.1183 51 A 4.1063 7.8142 121.9548 54.7474 18.2948 179.5871 52 E 3.9068 8.1192 116.6979 59.4429 29.3345 179.4870 53 T 3.7815 7.6230 115.0479 66.7962 68.8587 176.3307 54 I 3.7041 7.6810 121.2485 64.3321 36.8615 178.4809 55 A 4.0414 8.0480 120.4105 54.8573 18.2700 179.0680 56 A 4.1074 7.7348 117.6685 53.0619 18.7846 178.0258 57 I 3.7115 7.0190 119.1419 60.6792 37.6749 176.1104 58 A 4.1176 8.4343 128.4666 51.4240 18.8852 175.5055 59 P 4.5819 0.0000 0.0000 62.7482 32.0393 175.7443 60 E 4.6720 8.2637 117.6960 54.7184 33.2876 176.4550 61 L 3.9552 8.6193 122.7105 56.1529 41.9305 175.3673 *63 P 4.5002 0.0000 0.0000 62.2544 32.2737 176.6069 64 E 4.1576 8.8915 118.6581 58.3584 30.0301 176.8664 65 E 4.8096 7.8647 117.1670 53.9559 32.3453 175.6963 66 R 3.9292 8.3625 121.5935 55.9389 31.0367 176.2900 67 L 4.3249 8.7468 123.6890 55.4948 42.6122 176.1308 68 Q 4.6132 8.3809 122.0178 55.2405 30.9399 173.3398 69 I 4.7303 8.6122 127.5936 59.1553 40.6626 174.7404 70 E 4.9027 8.6524 122.2716 54.4514 32.8504 174.6942 71 A 4.8337 8.3743 122.1801 50.2968 22.6179 175.1362 72 E 5.0260 8.7122 118.0482 54.7438 32.6352 174.0657 73 S 4.7786 8.9926 113.9906 55.9098 66.2134 174.6540 74 A 3.8211 8.6823 122.3257 55.1544 18.2324 178.5084 75 L 4.6139 8.0850 115.5311 56.5678 43.4666 176.9573 76 L 5.2503 7.7608 116.9516 54.2984 44.6691 174.6649 77 W 5.3129 9.3585 129.0101 55.6448 33.9927 173.8986 78 L 5.0013 8.3351 125.9999 52.8550 45.4850 175.2230 79 E 4.6798 8.3286 122.0907 54.5604 33.3434 173.5999 80 A 5.1430 8.7201 129.3132 50.8559 21.0022 175.5834 81 E 5.0218 9.3145 122.8162 52.9210 33.8438 171.1677 82 G 4.1262 7.3122 116.7432 44.4895 0.0000 175.4665 83 F 5.1677 9.0402 125.3225 54.7268 42.6739 175.2322 84 A 4.0648 8.9795 125.0203 55.2415 18.1083 178.3657 85 D 4.6408 8.1033 111.8485 53.3614 40.2765 176.6777 86 A 4.3559 7.9035 120.1010 51.8749 20.3801 174.3007 87 Y 5.3524 7.3962 118.8640 55.8177 41.8973 175.1434 88 E 4.4886 9.2637 121.4633 56.1598 31.6884 175.3073 89 L 5.2478 8.7564 123.1685 53.5980 45.0933 175.3274 90 R 5.3370 9.1797 125.6324 54.4569 33.3032 174.8919 91 L 5.5328 9.3446 124.1730 53.5333 46.0350 175.1564 92 I 5.2128 9.1744 125.6704 59.6628 40.8386 174.6914 93 L 4.7254 8.7014 127.1384 54.5231 42.0387 176.8453 94 A 4.4066 9.0058 124.3309 53.5690 19.8149 178.1302 95 S 4.7344 8.1567 109.5828 57.7342 65.8315 176.4845 96 D 4.0108 8.2949 122.2642 55.6030 39.6895 176.6097 97 R 4.0638 8.6365 130.6702 57.0097 29.7890 176.0652 98 R 4.3607 8.3535 124.7777 55.9918 31.3550 176.1564 99 V 4.5617 8.0276 119.1838 61.3185 35.3922 173.0832 100 E 5.1965 8.8331 127.3550 54.4865 31.4815 174.6180 101 A 4.5630 9.1639 127.6168 50.4664 23.2160 174.3255 102 C 5.1076 7.7354 118.5658 57.9648 35.0894 172.9973 103 W 4.8670 9.6300 126.9767 53.9382 31.0873 174.2863 104 P 4.5946 0.0000 0.0000 62.4259 31.2256 176.8374 105 A 4.3240 9.0971 121.5789 54.7219 18.4497 179.9316 106 A 4.0171 8.1601 117.0888 55.2872 18.8580 179.0832 107 A 4.3839 8.1806 117.3887 54.4150 18.5549 179.8566 108 V 3.2717 7.3025 116.0818 65.8832 31.5287 176.3263 109 P 4.0702 0.0000 0.0000 65.5282 31.0343 178.5007 110 A 3.7284 7.5870 118.9886 54.6780 18.3912 179.1056 111 L 2.7445 6.6043 118.2509 57.8644 41.8154 179.3288 112 V 3.3031 7.4065 116.7203 65.9902 31.5965 177.3723 113 A 4.0794 7.8734 120.1533 55.1259 18.0952 179.4150 114 A 3.9426 7.8319 119.7724 55.5160 18.2649 179.8940 115 T 3.8493 7.8321 108.1688 65.3238 68.3550 176.1090 116 H 4.2904 7.7495 118.0851 58.0013 28.8071 176.1755 117 T 4.2424 7.7671 109.2661 62.2637 69.1420 175.6777 118 L 4.3405 7.1270 124.3216 53.5383 40.0823 176.5479 119 K 4.0753 7.8373 118.6305 57.6281 32.8281 177.7570 120 G 3.6550 7.2240 107.6173 44.2711 0.0000 173.8458 121 F 4.3246 8.3936 117.1884 57.7258 38.2869 174.7248 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 2 G 8.21 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 3 R 9.49 4.83 0.00 1.87 1.85 0.00 3.16 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 4 I 9.12 4.66 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.99 0.00 0.00 5 L 8.68 4.99 0.00 1.65 1.56 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 6 R 9.31 4.97 0.00 2.19 2.18 0.00 3.53 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 7 E 8.28 3.80 0.00 1.60 1.59 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 2.02 2.09 0.00 8 G 6.47 3.52 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 0.00 0.00 0.00 9 A 8.52 3.97 1.35 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 0.00 0.00 0.00 10 G 10.39 4.11 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 0.00 11 W 7.63 5.66 0.00 3.71 3.43 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 12 R 9.64 5.19 0.00 1.89 1.90 0.00 3.09 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 13 L 9.60 5.31 0.00 2.02 1.79 1.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 G 9.72 4.70 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 0.00 0.00 0.00 15 W 9.34 5.71 0.00 3.48 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 16 D 8.38 4.85 0.00 2.64 2.26 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 17 E 8.75 3.90 0.00 2.17 2.35 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 2.30 2.26 0.00 18 T 7.83 3.83 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 1.18 0.00 0.00 19 A 7.54 3.99 1.21 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 0.00 0.00 *20 H 8.81 4.33 0.00 2.94 3.00 0.00 7.15 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 21 R 7.93 4.27 0.00 1.61 1.67 0.00 2.88 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 22 Y 7.47 5.25 0.00 2.98 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 23 P 0.00 4.11 0.00 0.49 1.79 0.00 3.84 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 1.91 1.80 0.00 24 G 8.32 4.70 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 0.00 0.00 0.00 25 L 8.95 5.33 0.00 1.75 1.55 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.51 5.04 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 0.04 0.00 0.00 0.97 0.00 0.00 27 G 9.15 4.54 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 0.00 28 T 8.05 5.50 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 0.73 0.00 0.00 29 T 8.66 4.00 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 1.21 0.00 0.00 30 D 7.60 4.81 0.00 2.85 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 31 W 8.14 4.73 0.00 3.20 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 32 A 8.19 5.16 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 33 V 8.72 4.59 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 0.82 0.00 0.00 0.94 0.00 0.00 34 E 8.75 4.78 0.00 1.56 1.79 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 2.29 2.27 0.00 35 L 8.77 5.33 0.00 1.71 1.65 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 36 T 9.94 4.68 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 1.22 0.00 0.00 37 A 8.84 4.47 1.62 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 0.00 0.00 38 A 8.24 4.17 1.35 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 0.00 0.00 0.00 39 E 8.05 4.01 0.00 2.32 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 2.42 2.34 0.00 *41 A 8.17 2.93 0.89 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 42 D 7.87 4.29 0.00 2.97 2.73 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 43 F 8.61 4.04 0.00 3.18 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 44 C 8.08 3.90 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 45 R 7.72 3.75 0.00 1.83 1.82 0.00 3.03 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 46 L 7.92 3.91 0.00 1.62 1.52 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.55 3.24 1.54 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 0.66 0.00 0.00 -0.25 0.00 0.00 48 Q 8.01 3.88 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 49 Q 8.01 3.84 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 50 L 7.94 3.79 0.00 1.70 1.50 0.69 0.63 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 51 A 7.81 4.11 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 52 E 8.12 3.91 0.00 2.17 1.96 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 2.30 2.44 0.00 53 T 7.62 3.78 4.29 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 1.12 0.00 0.00 54 I 7.68 3.70 1.70 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.48 0.64 0.00 0.00 55 A 8.05 4.04 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 56 A 7.73 4.11 1.37 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 0.00 0.00 57 I 7.02 3.71 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.91 0.00 0.00 58 A 8.43 4.12 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 59 P 0.00 4.58 0.00 2.19 2.06 0.00 3.74 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 1.98 1.98 0.00 60 E 8.26 4.67 0.00 1.98 1.81 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 2.29 2.33 0.00 61 L 8.62 3.96 0.00 1.59 1.70 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *63 P 0.00 4.50 0.00 2.35 2.32 0.00 3.13 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.00 0.00 64 E 8.89 4.16 0.00 2.13 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 2.30 2.36 0.00 65 E 7.86 4.81 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 2.22 2.24 0.00 66 R 8.36 3.93 0.00 1.52 1.56 0.00 3.14 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 1.00 1.54 0.00 67 L 8.75 4.32 0.00 1.61 1.72 0.71 0.43 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 68 Q 8.38 4.61 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 69 I 8.61 4.73 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.79 0.00 0.00 70 E 8.65 4.90 0.00 1.61 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 0.00 2.17 2.31 0.00 71 A 8.37 4.83 1.07 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 0.00 0.00 72 E 8.71 5.03 0.00 2.34 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 0.00 2.29 2.37 0.00 73 S 8.99 4.78 0.00 3.93 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 74 A 8.68 3.82 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 75 L 8.09 4.61 0.00 1.82 1.78 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.76 5.25 0.00 1.97 1.86 1.00 1.32 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 77 W 9.36 5.31 0.00 3.37 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 78 L 8.34 5.00 0.00 1.43 1.20 0.60 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.33 4.68 0.00 1.16 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 2.07 2.12 0.00 80 A 8.72 5.14 0.99 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 81 E 9.31 5.02 0.00 1.98 1.74 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 2.28 2.40 0.00 82 G 7.31 4.13 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 0.00 83 F 9.04 5.17 0.00 3.12 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 84 A 8.98 4.06 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 85 D 8.10 4.64 0.00 2.83 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 86 A 7.90 4.36 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 87 Y 7.40 5.35 0.00 2.93 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 88 E 9.26 4.49 0.00 2.14 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 2.40 2.42 0.00 89 L 8.76 5.25 0.00 1.83 1.70 0.90 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 90 R 9.18 5.34 0.00 1.85 2.03 0.00 3.27 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 91 L 9.34 5.53 0.00 2.15 1.80 1.28 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 I 9.17 5.21 2.08 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 1.32 0.96 0.92 0.00 0.00 93 L 8.70 4.73 0.00 1.63 1.68 0.99 0.95 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 94 A 9.01 4.41 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 95 S 8.16 4.73 0.00 3.95 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 96 D 8.29 4.01 0.00 2.90 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 0.00 0.00 0.00 0.00 97 R 8.64 4.06 0.00 1.78 1.86 0.00 3.18 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 98 R 8.35 4.36 0.00 1.86 1.97 0.00 3.22 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 99 V 8.03 4.56 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 1.03 0.00 0.00 0.98 0.00 0.00 100 E 8.83 5.20 0.00 1.97 1.71 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 0.00 2.11 2.30 0.00 101 A 9.16 4.56 0.94 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 0.00 0.00 102 C 7.74 5.11 0.00 2.87 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 0.00 103 W 9.63 4.87 0.00 3.38 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 0.00 104 P 0.00 4.59 0.00 2.27 2.23 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 105 A 9.10 4.32 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 0.00 106 A 8.16 4.02 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 0.00 107 A 8.18 4.38 1.70 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 0.00 0.00 108 V 7.30 3.27 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 0.63 0.00 0.00 0.99 0.00 0.00 109 P 0.00 4.07 0.00 2.09 1.99 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 110 A 7.59 3.73 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 0.00 111 L 6.60 2.74 0.00 1.16 1.36 0.83 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.41 3.30 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 0.79 0.00 0.00 0.80 0.00 0.00 113 A 7.87 4.08 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 0.00 114 A 7.83 3.94 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 0.00 115 T 7.83 3.85 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 1.26 0.00 0.00 116 H 7.75 4.29 0.00 3.26 3.38 0.00 5.65 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 0.00 117 T 7.77 4.24 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 1.30 0.00 0.00 118 L 7.13 4.34 0.00 1.77 1.42 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.84 4.08 0.00 1.95 1.82 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.00 7.81 120 G 7.22 3.66 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 0.00 0.00 0.00 121 F 8.39 4.32 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.