NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9231 8.3549 109.7195 45.6771 0.0000 175.3761 17 I 3.6692 7.1905 119.9604 62.9415 37.4007 175.5399 18 T 4.0104 7.6901 116.8914 63.5744 70.1106 173.6843 19 G 3.5178 8.1647 112.9202 44.6339 0.0000 171.3545 20 T 4.6434 7.8932 116.8047 61.5092 70.9830 173.9017 21 W 4.8444 8.2683 125.2860 54.8369 33.5250 173.9012 22 Y 5.2838 8.9165 119.6700 56.1933 40.9133 174.8405 23 E 4.1210 9.5068 125.7138 55.5207 30.5110 176.6467 24 Q 3.9438 8.6015 121.5183 57.6720 28.3263 175.9388 25 L 4.5712 8.3610 117.3823 54.6142 44.5226 176.7338 26 G 4.0816 8.7406 108.1935 45.8317 0.0000 173.3464 27 S 4.7152 7.9237 116.9746 58.4532 65.1377 173.0476 28 T 5.1676 8.2646 117.0824 62.0119 72.6847 173.4349 29 F 5.1870 8.8625 120.3374 55.0969 41.9629 173.4587 30 I 4.6274 8.8818 122.4834 59.9951 38.8611 175.1525 31 V 4.9622 9.1912 120.3996 59.7321 35.6370 174.7144 32 T 4.8377 8.8053 119.6946 61.6898 71.5285 172.7833 33 A 4.9305 8.5919 128.9274 50.0046 20.4430 176.7178 34 G 3.7938 9.4993 112.7031 44.9649 0.0000 174.2661 35 A 4.0028 8.7430 125.6456 54.4119 18.6450 177.4903 36 D 4.7867 8.1226 114.5754 53.9694 41.6314 176.3634 37 G 3.2513 8.5455 106.5382 43.7900 0.0000 173.2655 38 A 4.7984 7.8880 121.7673 51.3930 20.4511 176.4791 39 L 5.2052 8.9999 121.3672 53.1701 44.5150 175.9107 40 T 4.8898 9.8077 113.7310 59.2941 72.6017 174.7770 41 G 3.9079 6.8398 107.5075 46.4766 0.0000 170.8999 42 T 5.0775 7.8586 114.7252 60.8568 71.8164 173.2476 43 Y 5.0553 9.0661 128.4470 56.1856 40.8181 174.7661 44 E 5.5236 9.4888 125.9252 54.3916 32.4992 176.9972 *50 A 4.2761 8.4722 122.1670 52.6512 20.1577 178.9263 51 E 4.2758 8.0923 111.9924 58.3112 29.7692 177.5848 52 S 4.7297 8.0701 112.7334 57.9840 62.8325 172.5134 53 R 4.8885 7.3476 118.5674 55.9186 31.0098 175.5315 54 Y 4.9329 8.8675 120.1982 56.1722 42.8451 174.6371 55 V 4.3050 8.5502 122.0604 62.5215 32.2609 175.0841 56 L 5.0994 8.7241 126.9844 54.4059 43.6616 175.1326 57 T 4.7758 8.5273 114.2863 61.3273 71.5471 173.2687 58 G 4.6614 8.5488 111.7399 46.3920 0.0000 172.0920 59 R 5.6232 8.4419 117.0406 55.0206 35.0859 174.1707 60 Y 5.2627 8.7667 118.2284 55.3264 42.1314 174.1317 61 D 4.3563 9.2097 120.8927 54.5258 40.6028 176.5799 62 S 4.5114 8.1475 120.4482 58.5859 63.8322 174.7759 63 A 4.6418 8.4540 123.9332 50.1493 18.5642 173.6173 64 P 4.7784 0.0000 0.0000 60.5421 32.8574 176.9720 65 A 4.2300 8.3633 121.7776 52.8554 18.6991 177.2918 66 T 4.5721 8.3640 107.9351 61.6169 68.9849 174.5622 67 D 4.6119 8.1308 119.2915 53.7004 39.7691 177.0948 68 G 4.0093 8.2294 108.3036 45.3665 0.0000 174.3003 69 S 4.2483 8.6236 115.8808 58.6748 63.3520 174.2624 70 G 4.0683 8.2851 109.7525 45.9072 0.0000 172.6178 71 T 4.7851 8.8022 116.9549 61.5741 70.0545 174.7970 72 A 4.8142 8.6519 129.5594 52.1686 19.9144 175.9294 73 L 5.1135 9.3254 121.3053 55.4481 44.8813 174.1631 74 G 4.6368 9.0275 104.7348 45.6839 0.0000 172.1389 75 W 5.6545 8.7435 116.8251 55.7664 32.0503 173.3703 76 T 5.2199 9.1007 117.1715 61.8576 71.9961 173.3953 77 V 4.5553 8.4574 123.6637 61.0237 34.5370 173.9924 78 A 4.3073 8.3005 129.7499 49.9212 19.9583 177.9742 79 W 4.2156 8.1806 124.7634 55.2263 28.0309 176.2322 80 K 5.2192 7.7310 118.2833 54.7102 34.9691 174.5335 81 N 5.0945 9.0167 122.9530 51.5051 40.0157 174.1442 82 N 4.1782 8.4553 113.7189 55.1314 38.8059 175.2519 83 Y 4.8069 7.3409 114.7351 58.6079 40.0341 175.9530 84 R 4.7515 8.9197 117.1896 54.9580 34.4811 173.9130 85 N 5.1834 8.5041 118.0593 52.9122 40.8012 173.9684 86 A 4.3075 9.0410 128.8003 51.7927 19.9235 176.0627 87 H 4.1888 8.7431 113.5874 55.8904 26.8776 173.5857 88 S 5.1356 7.4022 111.0513 57.8239 66.5821 174.2477 89 A 5.0886 9.3645 121.4524 50.6424 22.9879 175.1697 90 T 5.0021 8.6125 116.4385 61.7127 72.2492 173.2322 91 T 4.9488 8.7956 115.6698 59.5889 71.8763 172.6918 92 W 4.8978 8.7973 125.0952 54.8257 31.6909 174.7022 93 S 4.8593 8.3411 119.6302 56.8247 64.2568 172.0647 94 G 4.4675 9.0468 116.1877 46.4491 0.0000 171.6905 95 Q 5.3156 8.5042 118.9500 55.1704 32.7160 173.6043 96 Y 4.8297 9.3289 123.1860 56.8045 40.6937 174.1751 97 V 4.3482 8.6090 126.6608 60.7852 34.1949 174.5154 98 G 3.8747 8.5075 116.0972 46.1563 0.0000 173.0132 99 G 4.1132 8.1055 112.1872 45.3759 0.0000 171.9755 100 A 3.9549 9.0114 121.7901 54.7780 18.3353 177.8300 101 E 4.3698 7.8672 118.6564 54.0195 29.5751 174.9526 102 A 4.4011 8.4693 128.7443 52.3916 19.0895 176.5303 103 R 5.2572 9.2001 120.6321 54.5798 35.4978 174.4052 104 I 4.8941 8.8793 121.8871 59.8572 40.1390 174.4289 105 N 5.4100 8.8353 125.6869 52.3121 40.0282 174.6954 106 T 5.3231 9.5378 113.7920 60.1188 73.0509 172.7183 107 Q 5.2315 8.8137 120.9832 54.0053 32.1898 174.8013 108 W 5.4522 8.4987 118.2721 54.7814 32.5124 173.8149 109 L 5.2440 8.8962 120.5717 52.9903 44.9885 175.1575 110 L 5.0893 8.9832 126.4355 53.7397 44.2933 174.8913 111 T 5.0804 8.9170 123.8334 61.9844 70.9053 173.6657 112 S 5.1175 8.6305 122.5443 56.5001 65.2725 174.3172 113 G 3.9348 8.7526 111.9830 46.3548 0.0000 173.3092 114 T 4.7397 8.2576 113.9227 59.6857 72.0092 173.6964 115 T 4.2225 8.1593 113.4783 61.0976 70.1195 175.2436 116 E 3.9594 8.7497 120.6552 59.5453 29.1290 179.5051 117 A 4.2222 8.0518 119.3322 54.3699 18.8327 178.1888 118 N 4.5467 7.6982 113.3274 53.2610 38.7744 176.8497 119 A 4.1236 8.1638 127.0893 54.1953 18.1507 180.2405 120 W 4.2235 8.2647 113.9594 58.7932 28.1944 176.6865 121 K 4.2280 6.2594 117.3802 56.2287 32.4061 177.4968 122 S 4.2439 8.0862 116.8382 60.7068 63.7025 173.4258 123 T 5.1440 7.6205 117.1575 61.6618 70.9306 173.7309 124 L 4.7209 9.1524 126.9599 53.6546 43.9904 176.0398 125 V 4.3540 7.8194 120.1176 60.3117 34.4199 175.2440 126 G 3.1717 6.4179 108.8632 45.8947 0.0000 171.0979 127 H 5.3841 8.0174 114.2344 54.9170 31.9141 171.9875 128 D 4.8709 9.4111 117.1513 53.8661 45.1575 173.8919 129 T 5.3715 8.4582 118.9095 61.8867 71.5225 173.3703 130 F 5.9961 10.0956 124.8467 55.4368 42.2802 174.7396 131 T 5.4158 8.6727 110.4951 60.3224 72.0310 174.8073 132 K 3.8334 8.5870 120.7801 57.5080 32.5706 177.9002 133 V 3.8550 7.4632 117.5801 62.8862 32.5257 175.7263 134 K 3.9923 8.2945 121.2011 56.7040 31.4276 176.4689 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 16 G 8.35 3.92 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 0.00 0.00 0.00 17 I 7.19 3.67 1.35 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.58 0.00 0.00 18 T 7.69 4.01 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 1.17 0.00 0.00 19 G 8.16 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 20 T 7.89 4.64 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 0.64 0.00 0.00 21 W 8.27 4.84 0.00 1.91 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 22 Y 8.92 5.28 0.00 2.98 2.81 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 E 9.51 4.12 0.00 2.09 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 2.34 2.49 0.00 24 Q 8.60 3.94 0.00 2.15 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 25 L 8.36 4.57 0.00 1.91 1.65 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.74 4.08 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 0.00 27 S 7.92 4.72 0.00 4.03 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 28 T 8.26 5.17 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 1.04 0.00 0.00 29 F 8.86 5.19 0.00 2.95 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.88 4.63 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.06 0.85 0.00 0.00 31 V 9.19 4.96 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 0.68 0.00 0.00 1.09 0.00 0.00 32 T 8.81 4.84 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 33 A 8.59 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.50 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 35 A 8.74 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 36 D 8.12 4.79 0.00 2.58 2.56 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 37 G 8.55 3.25 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 38 A 7.89 4.80 1.28 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 39 L 9.00 5.21 0.00 1.85 1.61 0.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.81 4.89 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 41 G 6.84 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 0.00 0.00 0.00 42 T 7.86 5.08 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 1.22 0.00 0.00 43 Y 9.07 5.06 0.00 3.01 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 44 E 9.49 5.52 0.00 1.94 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 2.31 2.10 0.00 *50 A 8.47 4.28 1.31 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 0.00 0.00 51 E 8.09 4.28 0.00 1.92 2.02 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 1.93 1.63 0.00 52 S 8.07 4.73 0.00 3.95 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 53 R 7.35 4.89 0.00 1.93 1.83 0.00 3.59 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 54 Y 8.87 4.93 0.00 2.89 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.55 4.31 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 8.72 5.10 0.00 1.87 1.62 0.44 -0.13 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 57 T 8.53 4.78 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 1.22 0.00 0.00 58 G 8.55 4.66 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 59 R 8.44 5.62 0.00 1.76 1.78 0.00 3.29 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 60 Y 8.77 5.26 0.00 2.98 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 61 D 9.21 4.36 0.00 2.79 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 62 S 8.15 4.51 0.00 3.90 3.25 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 63 A 8.45 4.64 1.20 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 0.00 0.00 64 P 0.00 4.78 0.00 2.27 2.18 0.00 3.45 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 65 A 8.36 4.23 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 66 T 8.36 4.57 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 1.24 0.00 0.00 67 D 8.13 4.61 0.00 2.80 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 68 G 8.23 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 69 S 8.62 4.25 0.00 3.88 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 70 G 8.29 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 71 T 8.80 4.79 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 72 A 8.65 4.81 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 73 L 9.33 5.11 0.00 1.92 1.96 1.19 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.03 4.64 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 75 W 8.74 5.65 0.00 3.40 3.13 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 76 T 9.10 5.22 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 1.18 0.00 0.00 77 V 8.46 4.56 1.45 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 -0.57 0.00 0.00 0.75 0.00 0.00 78 A 8.30 4.31 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 0.00 0.00 0.00 0.00 0.00 79 W 8.18 4.22 0.00 3.35 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 80 K 7.73 5.22 0.00 1.92 1.70 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.46 7.81 81 N 9.02 5.09 0.00 2.73 2.66 0.00 0.00 6.65 7.28 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 82 N 8.46 4.18 0.00 2.05 2.44 0.00 0.00 6.65 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 83 Y 7.34 4.81 0.00 3.04 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 84 R 8.92 4.75 0.00 1.97 1.93 0.00 3.29 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 85 N 8.50 5.18 0.00 2.66 2.63 0.00 0.00 6.93 7.96 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 86 A 9.04 4.31 1.28 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 87 H 8.74 4.19 0.00 3.34 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.40 5.14 0.00 4.02 3.95 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 89 A 9.36 5.09 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 0.00 0.00 0.00 0.00 0.00 90 T 8.61 5.00 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 -0.37 0.00 0.00 91 T 8.80 4.95 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 1.13 0.00 0.00 92 W 8.80 4.90 0.00 1.78 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 0.00 0.00 0.00 93 S 8.34 4.86 0.00 3.86 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 94 G 9.05 4.47 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 0.00 0.00 0.00 95 Q 8.50 5.32 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 96 Y 9.33 4.83 0.00 2.99 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 97 V 8.61 4.35 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 0.94 0.00 0.00 0.92 0.00 0.00 98 G 8.51 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 99 G 8.11 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 0.00 100 A 9.01 3.95 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 E 7.87 4.37 0.00 1.95 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 2.28 2.33 0.00 102 A 8.47 4.40 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.20 5.26 0.00 1.79 2.02 0.00 3.11 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 104 I 8.88 4.89 1.82 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.09 1.12 0.00 0.00 105 N 8.84 5.41 0.00 2.72 2.83 0.00 0.00 6.08 8.19 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 0.00 106 T 9.54 5.32 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 107 Q 8.81 5.23 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 108 W 8.50 5.45 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.90 5.24 0.00 1.49 1.53 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.98 5.09 0.00 1.69 1.69 1.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.92 5.08 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 1.19 0.00 0.00 112 S 8.63 5.12 0.00 3.69 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 0.00 113 G 8.75 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 0.00 114 T 8.26 4.74 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 1.16 0.00 0.00 115 T 8.16 4.22 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 0.00 116 E 8.75 3.96 0.00 2.05 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 0.00 2.41 2.38 0.00 117 A 8.05 4.22 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 0.00 118 N 7.70 4.55 0.00 2.68 2.59 0.00 0.00 6.75 7.95 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 0.00 119 A 8.16 4.12 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 0.00 120 W 8.26 4.22 0.00 3.55 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 0.00 121 K 6.26 4.23 0.00 1.19 0.74 0.00 0.61 0.00 0.00 0.92 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.75 0.78 7.81 122 S 8.09 4.24 0.00 4.13 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 0.00 123 T 7.62 5.14 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 1.22 0.00 0.00 124 L 9.15 4.72 0.00 1.78 1.74 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.82 4.35 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 0.54 0.00 0.00 0.70 0.00 0.00 126 G 6.42 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 0.00 0.00 0.00 127 H 8.02 5.38 0.00 3.24 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.41 4.87 0.00 3.15 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 0.00 129 T 8.46 5.37 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 1.46 0.00 0.00 130 F 10.10 6.00 0.00 2.89 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 0.00 131 T 8.67 5.42 4.37 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 1.37 0.00 0.00 132 K 8.59 3.83 0.00 1.42 1.51 0.00 1.29 0.00 0.00 1.38 0.00 0.00 2.20 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.21 7.81 133 V 7.46 3.86 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 0.75 0.00 0.00 0.90 0.00 0.00 134 K 8.29 3.99 0.00 1.88 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.