NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2715 8.1593 117.3739 63.5639 69.7955 173.4788 2 S 4.4391 8.3355 120.8713 55.6284 65.2625 172.6996 3 K 4.0279 9.4169 122.5751 59.7091 33.2223 179.9058 4 K 3.8945 8.2683 117.8387 59.5850 31.7129 178.9735 5 K 3.9418 7.6326 118.2236 58.8598 32.0782 177.8832 6 R 4.4075 7.5050 115.9140 56.4295 30.6174 177.6762 7 Q 4.2422 8.0910 119.5625 56.8452 28.5156 175.6263 8 R 3.9279 7.5732 118.7034 59.5864 29.7659 176.0047 9 G 4.0412 8.8888 111.3721 45.6329 0.0000 173.8906 10 S 4.2326 7.9259 113.3608 58.2781 63.6804 174.5862 11 R 4.1838 8.0619 125.5983 57.6055 29.3704 176.8579 12 T 4.2321 7.6239 105.3342 61.6469 69.6548 174.2471 13 H 4.9755 8.3091 117.6347 56.1188 26.7589 175.2870 14 G 3.8707 8.4965 103.1556 46.5467 0.0000 174.9338 15 G 3.9568 8.0247 105.6535 44.3478 0.0000 176.6853 16 G 3.7736 7.8800 107.1130 45.4605 0.0000 174.4467 17 S 4.1412 8.5946 117.5036 58.6201 62.6663 174.8965 18 H 4.3211 8.9106 122.2256 57.4024 28.2045 175.7765 19 K 4.0923 7.7508 119.0322 56.8354 31.7512 177.5086 20 N 4.3700 7.8069 117.8200 55.7243 39.2772 177.0273 21 R 4.4133 7.4748 119.5066 56.7017 28.7584 177.3105 22 R 4.5907 7.2119 122.4142 56.2195 30.4602 179.9734 23 G 4.0014 8.4703 121.2477 46.0470 0.0000 173.4016 24 A 4.2398 8.6313 120.3082 54.0694 18.5610 179.8956 25 G 3.7516 8.1077 104.4649 47.9385 0.0000 174.5527 26 H 4.6265 7.8916 117.6206 57.3256 30.0721 175.5523 27 R 4.3588 8.2954 117.6987 55.9563 31.1583 176.4446 28 G 3.7988 7.9138 105.6754 46.5878 0.0000 173.0088 29 G 3.9871 8.1402 104.4871 43.3908 0.0000 174.1095 30 R 4.1849 8.6518 119.6818 56.6667 31.9029 175.8902 31 G 3.8496 8.1614 113.4324 47.4948 0.0000 173.4052 32 D 4.7393 8.6911 123.5706 53.6789 40.6520 175.4151 33 A 4.1232 7.5188 122.9160 54.0327 18.6692 179.0897 34 G 3.7773 9.0146 110.6782 45.1826 0.0000 175.0394 35 R 3.8091 7.7065 116.8113 57.7285 29.2630 177.3901 36 D 4.9815 7.9105 115.5720 52.6224 42.5438 176.3140 37 K 4.2345 8.6659 117.7653 57.0393 32.4509 176.8829 38 H 4.5841 9.5303 124.7420 58.1121 29.8062 176.3077 39 E 4.6852 7.5407 119.8375 55.5559 30.3797 177.1754 40 F 4.9387 8.2347 115.5185 59.3846 38.3947 175.0026 41 H 3.5091 6.3744 116.5176 57.1553 28.5976 174.1035 42 N 4.2648 8.9293 120.5800 54.6987 35.9612 173.4929 43 H 4.8682 7.7777 114.3158 53.5036 31.4537 174.1760 44 E 4.1070 8.7949 123.8862 55.5407 29.9263 175.1843 45 P 4.4544 0.0000 0.0000 62.7750 31.8501 175.9735 46 L 4.1696 8.0826 118.9009 54.8120 42.3035 176.0163 47 G 4.2054 8.0442 106.2823 43.4663 0.0000 173.0537 48 K 4.5848 7.9923 119.2948 55.0041 34.1251 176.5333 49 S 4.4195 8.4228 114.4435 58.1967 65.5005 175.6525 50 G 4.0382 9.1365 117.5476 45.5746 0.0000 171.6093 51 F 4.9757 8.4143 113.4203 55.7470 40.8695 173.2514 52 K 4.2442 8.2360 119.1466 54.3982 35.3284 176.4274 53 R 4.4582 7.9853 120.8648 54.0868 31.4537 174.8188 54 P 4.2704 0.0000 0.0000 63.2822 31.6977 176.9036 55 Q 3.9038 9.0361 121.0505 59.2523 28.7118 178.8271 56 K 4.4585 7.9719 113.2569 57.0606 32.6098 176.9984 57 V 4.3084 8.0733 117.2629 62.8771 31.9158 174.7711 58 Q 4.5914 7.6685 117.4638 54.3585 30.1782 174.7106 59 E 4.4674 8.5898 121.5360 54.4383 31.6613 174.8728 60 E 4.4345 8.3863 124.2544 54.2211 31.5073 174.3063 61 A 3.9729 8.2164 129.4609 51.2340 19.6703 176.2309 62 A 4.3917 9.2133 126.0058 51.2783 19.8009 176.7848 63 T 5.4395 8.0365 112.1022 60.2737 71.8569 173.8123 64 I 4.2369 7.7109 118.3473 60.3847 41.3546 172.5898 65 D 5.7074 8.3702 128.2968 52.7878 42.3731 177.7841 66 V 3.5739 8.6843 115.3473 64.9382 31.4958 178.7318 67 R 3.9276 7.7819 118.3212 59.3800 29.5416 178.2859 68 E 3.8807 8.1534 118.4064 59.5449 30.0760 178.1375 69 I 3.7125 7.8235 119.1816 64.7390 37.0232 177.2809 70 D 4.3451 8.6412 118.5717 57.8512 40.9074 178.6901 71 E 4.1362 8.2228 116.8919 58.1167 28.6508 177.1539 72 N 5.0279 8.0502 116.9184 52.8740 40.0588 177.4089 73 V 3.2592 7.5649 113.5049 64.7397 31.8094 178.9099 74 T 3.8490 7.6503 107.9949 64.7654 68.4285 175.4922 75 L 4.0809 7.1431 121.2017 56.7623 42.0936 177.3076 76 L 4.4247 7.6077 120.0928 53.6725 41.4960 178.2497 77 A 3.9956 8.1273 122.6271 55.4372 18.6780 178.3069 78 A 4.4572 7.7551 117.5605 52.0566 18.8142 177.2607 79 D 4.5961 8.2774 120.2068 56.1657 45.6508 175.9490 80 D 4.2391 7.6047 122.0493 49.1178 41.7525 175.4626 81 V 4.5256 8.2982 121.0481 61.1617 34.1837 174.6980 82 A 4.2544 8.1323 133.2990 51.6491 20.3828 176.7845 83 E 3.7956 8.9694 109.5798 59.4636 30.1383 174.0241 *89 F 4.5985 7.7586 114.2513 57.9218 41.0989 174.1500 90 R 5.1742 8.6930 120.0326 54.7851 32.6215 174.7715 91 V 4.4875 8.7105 125.9729 59.8915 34.9806 174.5963 92 D 4.8220 8.7606 124.2596 52.9673 40.8937 176.3209 93 V 3.5842 8.4577 128.4117 66.3681 31.5915 178.3760 94 R 3.6807 7.7971 116.9693 59.1825 29.8869 177.7760 95 D 4.6249 8.0446 116.2088 54.8572 41.2301 177.9078 96 V 4.0076 8.0463 119.1798 63.7507 32.5907 176.2225 97 V 3.6152 7.2798 116.9005 63.0548 31.6030 175.4209 98 E 4.2119 8.5695 125.9777 57.1017 30.4176 176.9702 99 E 4.2376 9.0717 117.3759 57.3314 26.8736 175.5566 100 A 4.4569 7.5211 119.4639 52.8683 18.5338 178.0056 101 D 4.7405 7.9605 117.9251 57.0050 42.2049 178.2442 102 D 4.5042 7.9988 115.7633 53.3818 38.7494 174.8729 103 A 4.7698 7.5752 122.9138 50.7363 20.7406 178.3710 104 D 4.3683 8.6661 121.5515 55.7146 41.7444 175.6335 105 Y 4.7154 6.3754 118.1722 57.1601 41.8567 172.0338 106 V 4.7665 8.7566 121.1686 61.3203 33.8189 174.3915 107 K 4.8826 9.4086 129.1677 54.5715 35.3348 174.6020 108 V 4.6007 8.3541 127.8910 61.7601 32.9781 174.5409 109 L 4.6220 9.2243 128.2568 52.4601 44.3554 176.9780 110 G 4.0688 8.2376 110.2671 45.2260 0.0000 173.2502 111 A 4.6196 8.1507 120.7789 51.7023 21.7079 178.6408 112 G 3.7830 8.9344 109.0963 44.3518 0.0000 172.0618 113 Q 4.4953 8.1731 117.6461 54.1794 31.1719 175.3502 114 V 4.2992 7.9188 117.3374 61.9720 32.8373 174.4894 115 R 4.4580 8.7798 125.2105 56.1668 30.2047 175.8602 116 H 5.2603 7.6406 113.3308 53.6461 33.0875 172.8457 117 E 4.9313 8.8467 118.4042 55.4128 30.2834 175.8374 118 L 5.1397 8.6269 123.9442 53.0333 46.1540 175.7946 119 T 4.9331 8.9018 119.5134 62.1456 70.6440 172.8731 120 L 5.2632 8.7631 127.4199 53.0494 44.3920 175.9035 121 I 5.4151 8.7300 123.6611 59.0189 39.6752 174.6124 122 A 4.8657 8.6857 127.5311 50.5647 22.3626 175.8920 123 D 4.3981 8.6068 117.4476 57.1110 42.0632 176.5388 124 D 4.6502 7.2265 115.4950 53.3457 44.5568 174.0225 125 F 5.5365 8.9903 120.6369 54.9294 43.6631 173.8563 126 S 4.7252 8.6010 114.1823 56.8610 65.6202 174.3246 127 E 3.9761 9.2532 120.1948 60.1725 29.1916 179.7670 128 G 3.8891 8.2645 104.2369 48.1727 0.0000 175.0391 129 A 4.0604 7.8672 122.2148 55.1225 18.4341 179.6974 130 R 3.7778 8.1297 116.4649 59.3705 30.1604 178.7550 131 E 3.9355 8.3520 118.1639 59.6978 29.4766 179.8714 132 K 3.9033 8.0356 117.8642 59.7112 32.2092 179.6120 133 V 3.6166 7.9872 118.3315 65.9472 31.2444 177.8547 134 E 4.8605 7.9228 119.9159 58.4535 29.3178 179.0915 135 G 3.7304 8.4415 104.8333 46.7614 0.0000 173.6786 136 A 4.6161 7.7827 123.8084 51.7372 19.5128 176.9382 137 G 4.2562 8.2840 105.6832 48.7030 0.0000 173.9287 138 G 4.9364 7.9531 104.6085 42.9844 0.0000 172.4369 139 S 5.0817 9.0783 113.4030 56.3411 67.0170 173.3464 140 V 4.5284 8.1249 119.9301 61.2333 33.8067 174.2086 141 E 4.5837 9.4603 128.5924 54.6553 31.5652 174.9012 142 L 5.0248 8.4169 126.7965 54.3334 43.2596 176.3837 143 T 4.1751 8.7679 123.1907 63.5300 69.6777 175.2025 144 D 4.3763 8.7283 121.5911 57.3904 41.1354 179.0659 145 L 3.9848 7.9919 120.2688 57.7751 42.3894 178.1248 146 G 3.8182 7.8213 107.3256 47.3659 0.0000 174.8676 147 E 4.4798 7.7845 120.6166 56.8347 29.0907 176.9128 148 E 4.7992 8.6638 114.2761 56.3493 30.2176 178.5441 149 R 4.5571 7.5075 116.4638 52.0839 30.8657 176.2234 150 Q 4.3108 7.8914 121.4123 56.8577 29.3315 173.0728 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 T 8.16 4.27 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 1.20 0.00 0.00 2 S 8.34 4.44 0.00 4.05 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 3 K 9.42 4.03 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.46 7.81 4 K 8.27 3.89 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.63 3.94 0.00 1.69 2.02 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.50 4.41 0.00 1.95 1.92 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 7 Q 8.09 4.24 0.00 1.94 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 8 R 7.57 3.93 0.00 1.79 1.92 0.00 3.36 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 9 G 8.89 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 10 S 7.93 4.23 0.00 4.00 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 11 R 8.06 4.18 0.00 1.97 2.10 0.00 3.21 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.62 4.23 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 13 H 8.31 4.98 0.00 3.34 3.42 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.50 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 15 G 8.02 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 0.00 0.00 0.00 16 G 7.88 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 17 S 8.59 4.14 0.00 3.87 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 18 H 8.91 4.32 0.00 3.31 3.40 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.75 4.09 0.00 1.70 1.79 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.26 1.29 7.81 20 N 7.81 4.37 0.00 2.77 2.59 0.00 0.00 6.94 7.37 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 21 R 7.47 4.41 0.00 1.78 1.91 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 22 R 7.21 4.59 0.00 1.74 1.02 0.00 3.23 0.00 0.00 3.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 23 G 8.47 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 24 A 8.63 4.24 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 25 G 8.11 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 26 H 7.89 4.63 0.00 3.06 3.49 0.00 5.91 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.30 4.36 0.00 2.01 1.91 0.00 3.29 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 28 G 7.91 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 29 G 8.14 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 30 R 8.65 4.18 0.00 1.91 1.81 0.00 3.39 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 31 G 8.16 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 32 D 8.69 4.74 0.00 2.73 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 33 A 7.52 4.12 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 34 G 9.01 3.78 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 0.00 0.00 0.00 35 R 7.71 3.81 0.00 1.71 2.00 0.00 2.74 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 36 D 7.91 4.98 0.00 2.74 2.76 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 37 K 8.67 4.23 0.00 1.78 1.71 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.52 7.81 38 H 9.53 4.58 0.00 3.31 3.46 0.00 5.46 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.54 4.69 0.00 1.84 1.91 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 2.17 2.01 0.00 40 F 8.23 4.94 0.00 3.19 3.26 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 41 H 6.37 3.51 0.00 2.90 3.07 0.00 5.85 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.93 4.26 0.00 2.82 2.86 0.00 0.00 6.89 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 43 H 7.78 4.87 0.00 3.33 3.22 0.00 5.86 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 44 E 8.79 4.11 0.00 1.98 1.91 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 2.33 2.32 0.00 45 P 0.00 4.45 0.00 2.18 2.09 0.00 3.78 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 2.01 2.02 0.00 46 L 8.08 4.17 0.00 1.66 1.64 0.91 0.93 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 47 G 8.04 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 0.00 0.00 0.00 0.00 48 K 7.99 4.58 0.00 1.76 1.75 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 49 S 8.42 4.42 0.00 3.79 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 50 G 9.14 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 51 F 8.41 4.98 0.00 3.10 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 52 K 8.24 4.24 0.00 1.65 1.59 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.21 1.34 7.81 53 R 7.99 4.46 0.00 1.72 1.86 0.00 3.33 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.40 0.00 54 P 0.00 4.27 0.00 2.22 2.22 0.00 3.78 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 2.10 2.04 0.00 55 Q 9.04 3.90 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.13 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.97 4.46 0.00 1.86 1.89 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.42 7.81 57 V 8.07 4.31 2.18 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.67 4.59 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.37 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 59 E 8.59 4.47 0.00 1.92 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 2.48 2.27 0.00 60 E 8.39 4.43 0.00 1.94 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 2.16 2.19 0.00 61 A 8.22 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.21 4.39 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 63 T 8.04 5.44 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 64 I 7.71 4.24 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.19 0.94 0.00 0.00 65 D 8.37 5.71 0.00 2.64 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 66 V 8.68 3.57 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 0.91 0.00 0.00 1.00 0.00 0.00 67 R 7.78 3.93 0.00 1.89 2.02 0.00 3.08 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 68 E 8.15 3.88 0.00 1.98 2.03 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 2.31 2.33 0.00 69 I 7.82 3.71 2.01 0.00 0.00 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 1.52 0.64 0.91 0.00 0.00 70 D 8.64 4.35 0.00 2.83 2.71 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 71 E 8.22 4.14 0.00 1.97 1.99 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 2.34 2.70 0.00 72 N 8.05 5.03 0.00 2.67 2.71 0.00 0.00 6.83 7.20 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 73 V 7.56 3.26 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 0.00 0.00 0.49 0.00 0.00 0.30 0.00 0.00 74 T 7.65 3.85 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 1.15 0.00 0.00 75 L 7.14 4.08 0.00 1.92 1.76 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.61 4.42 0.00 1.87 1.65 0.89 0.78 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 77 A 8.13 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.46 1.29 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 0.00 0.00 79 D 8.28 4.60 0.00 2.73 2.60 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 80 D 7.60 4.24 0.00 3.00 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 81 V 8.30 4.53 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 0.36 0.00 0.00 0.95 0.00 0.00 82 A 8.13 4.25 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 83 E 8.97 3.80 0.00 1.99 1.93 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 2.25 1.95 0.00 *89 F 7.76 4.60 0.00 3.02 3.09 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 0.00 90 R 8.69 5.17 0.00 1.83 1.81 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.71 4.49 2.13 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 0.70 0.00 0.00 0.96 0.00 0.00 92 D 8.76 4.82 0.00 2.73 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 93 V 8.46 3.58 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 0.86 0.00 0.00 0.98 0.00 0.00 94 R 7.80 3.68 0.00 2.08 2.01 0.00 3.22 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 95 D 8.04 4.62 0.00 2.79 2.71 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 96 V 8.05 4.01 2.18 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 0.80 0.00 0.00 0.94 0.00 0.00 97 V 7.28 3.62 2.06 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 0.83 0.00 0.00 0.98 0.00 0.00 98 E 8.57 4.21 0.00 2.06 1.83 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 2.38 2.31 0.00 99 E 9.07 4.24 0.00 2.18 2.06 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 2.26 2.23 0.00 100 A 7.52 4.46 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 0.00 101 D 7.96 4.74 0.00 2.63 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 0.00 102 D 8.00 4.50 0.00 2.80 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 0.00 103 A 7.58 4.77 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 0.00 104 D 8.67 4.37 0.00 2.53 2.46 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 0.00 0.00 0.00 0.00 105 Y 6.38 4.72 0.00 3.36 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 0.00 106 V 8.76 4.77 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 0.90 0.00 0.00 0.94 0.00 0.00 107 K 9.41 4.88 0.00 2.01 1.65 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.51 7.81 108 V 8.35 4.60 1.78 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 0.99 0.00 0.00 0.76 0.00 0.00 109 L 9.22 4.62 0.00 1.76 1.56 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.24 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 0.00 111 A 8.15 4.62 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.93 3.78 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 0.00 0.00 0.00 113 Q 8.17 4.50 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.92 4.30 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 0.97 0.00 0.00 0.95 0.00 0.00 115 R 8.78 4.46 0.00 1.62 1.81 0.00 3.10 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 116 H 7.64 5.26 0.00 3.06 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.85 4.93 0.00 2.03 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 2.33 2.29 0.00 118 L 8.63 5.14 0.00 1.63 1.62 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.90 4.93 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 1.23 0.00 0.00 120 L 8.76 5.26 0.00 1.80 1.87 1.08 0.64 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 0.00 121 I 8.73 5.42 1.94 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 1.17 1.98 0.98 0.00 0.00 122 A 8.69 4.87 0.56 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 0.00 123 D 8.61 4.40 0.00 2.84 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 0.00 124 D 7.23 4.65 0.00 2.44 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 0.00 125 F 8.99 5.54 0.00 2.84 2.92 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 0.00 0.00 0.00 126 S 8.60 4.73 0.00 3.92 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 0.00 127 E 9.25 3.98 0.00 2.05 2.06 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 2.42 2.44 0.00 128 G 8.26 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 0.00 0.00 0.00 129 A 7.87 4.06 1.56 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 0.00 130 R 8.13 3.78 0.00 2.04 1.93 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 131 E 8.35 3.94 0.00 2.01 2.03 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 2.34 2.39 0.00 132 K 8.04 3.90 0.00 2.02 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.71 7.81 133 V 7.99 3.62 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 1.09 0.00 0.00 1.05 0.00 0.00 134 E 7.92 4.86 0.00 2.03 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 0.00 2.39 2.32 0.00 135 G 8.44 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 0.00 136 A 7.78 4.62 1.42 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 0.00 0.00 0.00 137 G 8.28 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 0.00 0.00 0.00 0.00 138 G 7.95 4.94 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 0.00 139 S 9.08 5.08 0.00 3.79 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 0.00 140 V 8.12 4.53 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 -0.88 0.00 0.00 0.51 0.00 0.00 141 E 9.46 4.58 0.00 1.95 1.87 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 2.23 2.21 0.00 142 L 8.42 5.02 0.00 1.66 1.60 1.26 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.77 4.18 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 1.26 0.00 0.00 144 D 8.73 4.38 0.00 2.71 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 0.00 145 L 7.99 3.98 0.00 1.61 1.83 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.82 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 0.00 0.00 0.00 147 E 7.78 4.48 0.00 2.13 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 2.35 2.53 0.00 148 E 8.66 4.80 0.00 1.80 1.85 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 2.21 2.53 0.00 149 R 7.51 4.56 0.00 1.74 1.82 0.00 3.31 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 150 Q 7.89 4.31 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.