NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.5242 8.4093 119.2084 54.1171 39.2176 172.8731 2 F 4.5831 7.3069 119.3316 55.6399 40.2989 171.0718 3 L 4.9313 9.7067 121.3362 53.2136 46.2957 176.0871 4 L 5.1650 8.5639 123.5407 53.4538 44.5945 175.2000 5 T 4.8572 9.0521 121.8100 62.0654 70.4442 174.0491 6 Q 5.3882 8.7976 124.0360 51.8318 32.9260 173.5995 7 P 4.4374 0.0000 0.0000 63.0081 32.3923 176.7742 8 H 4.3697 8.9334 120.6335 59.3818 30.8253 174.7398 9 S 5.4615 7.7209 109.9977 58.2568 66.4763 173.4966 *11 V 4.1915 8.0282 119.0396 63.1206 32.8494 174.1719 12 S 5.5721 8.4649 121.7275 55.9796 66.0840 173.0444 13 E 4.8095 8.5538 122.7585 54.5825 34.3553 175.0351 14 S 4.7347 8.4915 116.8514 57.4775 64.4452 172.3116 15 P 4.3955 0.0000 0.0000 64.2115 31.3706 176.6866 16 G 3.9395 9.5571 111.1746 45.1888 0.0000 173.8976 17 K 4.3446 7.4832 118.7623 55.9337 34.1971 175.6662 18 T 5.0945 8.2149 117.7066 61.9323 71.0115 174.2220 19 V 4.3593 8.5682 124.6690 60.1553 35.0591 174.9147 20 T 4.6430 8.3225 118.8194 61.8478 70.5865 173.0518 21 I 4.1828 8.3361 128.9867 60.3896 37.9052 176.0439 22 S 5.0374 8.6760 122.0090 57.9686 65.7192 173.9984 23 C 5.2173 9.2657 120.9872 55.6903 42.7819 171.2914 24 T 4.7389 8.9150 120.7989 61.9799 70.1295 173.3919 25 R 4.7526 8.1484 127.3818 55.2429 30.4622 175.6409 26 S 4.3938 9.1707 123.2097 61.0848 62.4591 174.7873 27 S 4.6467 7.6746 113.7945 56.0650 66.2468 172.5693 27A G 4.0154 8.6046 109.3570 45.1562 0.0000 173.5013 27B S 4.1996 8.1930 116.2069 57.8911 62.6956 174.6951 28 I 3.7021 8.9025 127.8257 62.2472 37.5449 175.9905 29 A 4.3331 7.7138 121.9242 54.3866 19.3613 178.6676 30 N 4.5374 7.6125 111.7509 54.8267 38.6264 174.6608 31 N 4.8839 7.3497 114.0521 51.5058 42.9960 173.8978 32 Y 4.6496 8.2443 118.1855 58.2164 39.7515 174.7721 33 V 4.5428 8.8330 121.6380 61.5249 34.4430 174.2043 34 H 5.6586 8.9760 124.2238 53.9436 32.6593 172.9589 35 W 5.6397 9.5400 120.1589 55.2355 32.9795 174.1512 36 Y 5.4852 9.1786 121.7862 55.3318 41.5194 173.8171 37 Q 4.7594 9.6159 122.1278 54.4172 31.9778 174.1775 38 Q 4.7325 8.8082 126.7552 54.1330 31.8201 174.9318 39 R 4.3163 8.7826 125.7902 55.0113 30.1487 174.2810 40 P 3.8518 0.0000 0.0000 65.7670 31.5449 177.0110 41 G 4.0004 7.7530 113.3578 43.0439 0.0000 172.1218 42 S 4.6559 7.5297 118.0054 57.0694 66.9449 174.4677 43 S 4.7573 8.2132 113.2625 57.9001 64.2071 172.6318 44 P 4.8315 0.0000 0.0000 63.3778 32.0541 175.6161 45 T 4.7094 8.9291 116.1730 60.6893 71.2533 172.9895 46 T 4.7345 8.6217 124.4295 63.9335 68.7073 174.7146 47 V 4.3064 9.1452 118.6791 61.7431 34.2517 176.3760 48 I 5.0401 7.9079 120.6832 59.6499 41.4678 173.8713 49 F 5.0659 9.7086 129.3332 56.8736 42.1421 174.4349 50 E 3.3524 8.7968 122.7413 57.5786 26.5089 173.5477 51 D 5.2050 9.8426 126.1510 54.9232 40.5200 176.6209 52 D 4.8112 7.8587 112.3644 53.8424 40.8057 173.9851 53 H 4.7249 8.7932 117.9767 55.3524 30.5562 174.2110 54 R 4.8910 8.5112 123.5489 53.7370 31.2330 173.8850 55 P 4.4374 0.0000 0.0000 62.5497 32.5837 175.8119 56 S 4.2385 8.6484 115.9414 60.5137 62.6313 173.2302 57 G 4.0726 9.0184 114.3767 45.6514 0.0000 173.9919 58 V 3.7634 7.3821 119.9831 61.0725 32.1324 173.9644 59 P 4.4148 0.0000 0.0000 63.1141 31.4120 176.5962 60 D 4.6486 8.7154 119.2845 54.6538 39.5049 177.1656 61 R 4.0540 8.0044 117.4689 58.4774 30.7182 175.9558 62 F 5.0427 8.2019 119.7587 56.2875 40.2159 175.6219 63 S 4.7149 9.2489 117.8076 56.7137 66.5716 173.1179 64 G 4.5985 8.7398 108.8791 44.7291 0.0000 172.2214 65 S 4.9414 9.0194 115.7700 56.6493 67.2569 172.8484 66 V 4.7688 8.3299 119.7870 61.2392 34.1473 174.0122 66A D 4.7406 9.1438 128.5634 52.9497 42.3221 176.7618 66B T 3.8560 8.7515 123.9718 66.7467 68.7690 176.9966 67 S 4.1173 8.2747 114.2338 60.8934 62.8415 174.9996 68 S 4.4688 8.0935 112.1895 57.0059 63.4276 173.0995 69 N 4.1066 8.0112 119.5237 54.9050 37.8497 172.7684 70 S 5.2836 7.8676 108.3479 56.3188 67.4909 172.3993 71 A 5.3513 9.0115 120.5018 50.4642 22.6997 175.3255 72 S 5.1017 9.5902 114.7609 56.7522 67.9456 173.0685 73 L 4.2403 8.0363 125.7399 53.5173 43.4910 175.0132 74 T 4.8063 8.6548 123.8489 61.7221 71.5245 173.7475 75 I 4.4424 8.3347 125.9882 59.5896 40.1389 174.5144 76 S 4.5702 8.2669 124.4237 56.2105 64.0375 174.8840 77 G 3.7531 8.2265 112.4475 45.3105 0.0000 173.5872 78 L 4.0236 7.7711 118.5805 55.1564 43.1045 177.6325 79 K 4.9295 8.8299 120.0648 54.3333 35.9673 177.6560 80 T 3.9132 8.5512 111.3880 64.7551 68.6930 176.1796 81 E 4.0676 8.2340 118.7711 58.8170 29.4549 177.2095 82 D 4.8119 8.0228 117.7534 54.7985 41.2163 175.9337 83 E 4.3074 8.3534 122.0439 56.6035 30.1847 175.8777 84 A 4.3053 8.3161 126.9724 52.2342 24.0826 173.8985 85 D 5.2004 8.0975 118.0126 53.4512 42.9880 175.9694 86 Y 5.0100 8.6816 119.9065 56.3531 41.6660 174.2024 87 Y 5.1562 8.6190 120.9055 56.2505 41.7277 172.6279 88 C 4.2240 9.1555 118.7132 54.3254 44.8325 172.5622 89 Q 4.6420 8.3775 118.2673 54.6139 33.1480 174.3157 90 S 4.7123 8.2227 115.9536 56.9873 66.5559 171.3349 91 Y 5.4560 8.2529 116.5682 56.8633 42.2565 173.6818 92 D 4.8110 9.3535 121.1709 54.0502 44.1882 175.5632 *93 H 3.8353 7.7703 115.1525 57.0166 28.7202 174.2967 94 N 5.1346 7.2224 118.2327 52.0198 39.7142 174.1745 95 N 4.3263 7.6872 113.6654 53.1349 42.9021 172.0640 96 Q 5.0216 8.8210 124.3791 54.6179 30.7672 174.5907 97 V 4.4314 8.3044 126.3647 61.1129 34.0825 174.2133 98 F 5.1371 8.9540 125.6724 55.6003 40.1371 175.6728 99 G 4.1323 9.1082 109.8445 45.4873 0.0000 175.1255 100 G 3.8582 8.7514 108.7774 46.7595 0.0000 175.0833 101 G 3.4088 7.9977 105.0935 45.3932 0.0000 173.0231 102 T 4.8297 8.2884 117.3320 60.1258 72.4793 173.0281 103 K 4.6405 8.8813 129.1151 55.6251 33.6599 175.0097 104 L 5.1829 9.1673 131.2649 53.8961 44.1362 174.9525 105 T 4.8789 9.1430 123.5885 61.8197 71.2146 173.4867 106 V 4.5127 8.7812 126.5093 60.9505 32.5350 176.8695 107 L 4.4505 8.2366 132.5949 53.6109 39.2702 177.3076 108 G 3.7052 7.5700 111.0390 45.6598 0.0000 171.0788 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 N 8.41 4.52 0.00 2.70 2.87 0.00 0.00 6.87 6.14 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 2 F 7.31 4.58 0.00 3.08 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 3 L 9.71 4.93 0.00 1.80 1.57 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.56 5.17 0.00 1.64 1.53 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.05 4.86 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 1.25 0.00 0.00 6 Q 8.80 5.39 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.20 0.00 7 P 0.00 4.44 0.00 2.23 2.20 0.00 3.90 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 2.10 1.97 0.00 8 H 8.93 4.37 0.00 3.31 3.37 0.00 5.90 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 9 S 7.72 5.46 0.00 4.04 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 *11 V 8.03 4.19 2.05 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 1.10 0.00 0.00 0.97 0.00 0.00 12 S 8.46 5.57 0.00 3.73 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 13 E 8.55 4.81 0.00 1.78 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 2.25 2.22 0.00 14 S 8.49 4.73 0.00 3.76 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 15 P 0.00 4.40 0.00 1.92 1.99 0.00 3.67 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 2.03 2.10 0.00 16 G 9.56 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 0.00 0.00 0.00 17 K 7.48 4.34 0.00 1.73 1.69 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.53 7.81 18 T 8.21 5.09 4.17 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 1.14 0.00 0.00 19 V 8.57 4.36 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 0.61 0.00 0.00 0.80 0.00 0.00 20 T 8.32 4.64 4.17 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 1.13 0.00 0.00 21 I 8.34 4.18 1.54 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.47 1.05 0.00 0.00 22 S 8.68 5.04 0.00 3.96 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 23 C 9.27 5.22 0.00 3.09 3.30 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 24 T 8.91 4.74 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 1.22 0.00 0.00 25 R 8.15 4.75 0.00 1.61 1.88 0.00 2.42 0.00 0.00 2.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.00 26 S 9.17 4.39 0.00 3.95 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 27 S 7.67 4.65 0.00 3.96 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 27A G 8.60 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 27B S 8.19 4.20 0.00 3.81 3.69 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 28 I 8.90 3.70 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.87 0.00 0.00 29 A 7.71 4.33 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 30 N 7.61 4.54 0.00 2.60 2.82 0.00 0.00 6.77 7.84 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 31 N 7.35 4.88 0.00 2.64 2.75 0.00 0.00 6.97 7.34 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 32 Y 8.24 4.65 0.00 2.92 2.70 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 33 V 8.83 4.54 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 0.56 0.00 0.00 0.87 0.00 0.00 34 H 8.98 5.66 0.00 3.18 3.32 0.00 5.63 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 35 W 9.54 5.64 0.00 3.37 3.23 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 36 Y 9.18 5.49 0.00 3.25 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 37 Q 9.62 4.76 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.07 1.69 0.00 38 Q 8.81 4.73 0.00 2.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 39 R 8.78 4.32 0.00 1.85 1.89 0.00 3.49 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 40 P 0.00 3.85 0.00 2.18 2.10 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 41 G 7.75 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 42 S 7.53 4.66 0.00 3.59 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 43 S 8.21 4.76 0.00 3.82 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 44 P 0.00 4.83 0.00 1.53 1.50 0.00 3.52 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 1.80 2.10 0.00 45 T 8.93 4.71 4.24 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 1.30 0.00 0.00 46 T 8.62 4.73 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 1.47 0.00 0.00 47 V 9.15 4.31 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 0.37 0.00 0.00 1.23 0.00 0.00 48 I 7.91 5.04 2.27 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 1.21 0.00 0.00 49 F 9.71 5.07 0.00 2.97 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 50 E 8.80 3.35 0.00 1.50 1.12 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 0.00 1.47 1.47 0.00 51 D 9.84 5.20 0.00 2.94 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 52 D 7.86 4.81 0.00 2.72 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 53 H 8.79 4.72 0.00 3.49 3.38 0.00 5.78 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 54 R 8.51 4.89 0.00 1.87 1.89 0.00 3.57 0.00 0.00 3.59 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 55 P 0.00 4.44 0.00 2.11 2.12 0.00 4.04 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 56 S 8.65 4.24 0.00 3.84 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 57 G 9.02 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 0.00 0.00 0.00 58 V 7.38 3.76 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 0.57 0.00 0.00 0.86 0.00 0.00 59 P 0.00 4.41 0.00 2.44 2.29 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.21 0.00 60 D 8.72 4.65 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 61 R 8.00 4.05 0.00 2.09 2.19 0.00 2.91 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.01 0.00 62 F 8.20 5.04 0.00 3.08 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 63 S 9.25 4.71 0.00 3.80 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 64 G 8.74 4.60 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 0.00 0.00 0.00 65 S 9.02 4.94 0.00 3.87 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 66 V 8.33 4.77 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 0.82 0.00 0.00 1.02 0.00 0.00 66A D 9.14 4.74 0.00 2.72 2.54 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 66B T 8.75 3.86 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 1.19 0.00 0.00 67 S 8.27 4.12 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 68 S 8.09 4.47 0.00 4.00 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 69 N 8.01 4.11 0.00 2.92 2.81 0.00 0.00 6.65 7.40 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 70 S 7.87 5.28 0.00 4.00 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 71 A 9.01 5.35 1.41 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 0.00 0.00 0.00 72 S 9.59 5.10 0.00 3.65 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 73 L 8.04 4.24 0.00 0.27 0.13 0.77 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.65 4.81 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 1.14 0.00 0.00 75 I 8.33 4.44 1.49 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.31 0.25 0.00 0.00 76 S 8.27 4.57 0.00 3.61 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 77 G 8.23 3.75 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 0.00 0.00 0.00 78 L 7.77 4.02 0.00 1.64 1.60 0.86 0.89 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 79 K 8.83 4.93 0.00 1.92 1.67 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.48 7.81 80 T 8.55 3.91 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 1.22 0.00 0.00 81 E 8.23 4.07 0.00 2.15 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 0.00 2.36 2.46 0.00 82 D 8.02 4.81 0.00 2.86 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 83 E 8.35 4.31 0.00 2.13 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 2.36 2.54 0.00 84 A 8.32 4.31 1.08 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 0.00 0.00 85 D 8.10 5.20 0.00 2.77 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 0.00 0.00 0.00 86 Y 8.68 5.01 0.00 2.96 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 87 Y 8.62 5.16 0.00 1.94 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 88 C 9.16 4.22 0.00 1.57 1.18 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 89 Q 8.38 4.64 0.00 1.61 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 1.63 2.25 0.00 90 S 8.22 4.71 0.00 3.62 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 91 Y 8.25 5.46 0.00 2.92 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 92 D 9.35 4.81 0.00 2.99 2.51 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 *93 H 7.77 3.84 0.00 2.98 2.87 0.00 7.20 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 94 N 7.22 5.13 0.00 2.68 2.82 0.00 0.00 6.68 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 95 N 7.69 4.33 0.00 2.69 2.56 0.00 0.00 6.81 6.95 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 96 Q 8.82 5.02 0.00 2.45 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.46 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 97 V 8.30 4.43 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 0.85 0.00 0.00 0.18 0.00 0.00 98 F 8.95 5.14 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.11 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 0.00 100 G 8.75 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 0.00 101 G 8.00 3.41 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 0.00 0.00 0.00 0.00 102 T 8.29 4.83 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 1.22 0.00 0.00 103 K 8.88 4.64 0.00 1.88 1.66 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.39 7.81 104 L 9.17 5.18 0.00 1.85 1.94 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 105 T 9.14 4.88 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 1.29 0.00 0.00 106 V 8.78 4.51 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 0.79 0.00 0.00 1.07 0.00 0.00 107 L 8.24 4.45 0.00 1.57 1.62 0.92 0.71 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 0.00 108 G 7.57 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.