NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 N 4.6635 8.4201 119.2068 53.8328 39.3868 173.3612 25 A 4.5115 8.4659 127.2733 50.7550 19.9952 173.4002 26 S 4.3868 8.8303 114.3055 59.2982 63.7569 172.5611 27 K 4.7562 8.8525 125.8683 56.3811 32.5021 175.0352 28 T 4.9970 7.4922 109.5741 59.9919 72.4100 172.1295 29 Y 4.9385 7.9431 118.7542 54.5933 41.9940 173.2141 30 P 5.1885 0.0000 0.0000 61.1557 33.3190 175.5288 *32 A 4.2351 8.3230 121.6888 51.9163 19.5426 177.6658 33 A 4.0135 9.0517 125.8031 55.1813 18.5616 179.7388 34 G 3.7431 7.8435 102.4210 47.0070 0.0000 174.0576 35 A 4.4545 7.7065 121.7298 51.9908 19.5315 177.5027 36 L 4.2461 7.4804 116.7245 54.2387 42.4635 176.7292 37 K 4.5963 8.1800 120.9271 53.7175 35.4633 175.5500 38 K 3.8012 8.6065 122.6931 58.4063 32.1735 176.3653 39 G 3.9118 8.8101 114.8670 45.2893 0.0000 173.8992 40 G 3.8482 8.1080 107.4955 45.7468 0.0000 172.4192 41 Y 5.7600 8.4060 117.1996 56.2494 39.9229 175.8476 42 V 4.4617 8.0478 119.2906 60.9306 34.8894 172.1892 43 C 5.5858 8.6220 121.1873 58.2625 29.2578 173.3786 44 I 4.4926 8.1076 123.6733 60.7880 39.8445 175.0948 45 N 4.2668 9.8764 119.8023 54.2233 36.1317 174.6398 46 G 3.9542 8.4340 102.2985 46.4350 0.0000 174.0740 47 R 4.8719 8.2482 118.4563 53.2283 33.9435 173.0643 48 P 5.1078 0.0000 0.0000 62.4346 32.9813 174.6632 49 C 5.3143 9.1945 121.5066 57.6559 32.9678 172.6019 50 K 4.6807 8.6129 122.5472 54.3997 34.0967 175.5382 51 V 4.1321 9.1345 129.4744 63.3550 31.7186 176.0778 52 I 4.2126 8.6137 121.7768 61.6143 39.3697 175.7515 53 D 4.8560 7.7991 121.5802 52.5152 45.4265 174.0924 54 L 5.1432 8.4302 123.3571 53.4879 45.2784 175.3040 55 S 4.7455 9.5007 120.2785 56.5615 66.2896 172.5697 56 V 4.9171 8.2531 125.3045 61.0162 33.9149 175.2531 57 S 4.2244 8.8936 122.9082 59.1704 64.0174 175.4264 58 K 3.9846 9.1725 119.8737 58.6781 31.4840 178.5227 59 T 4.7600 8.7779 118.4027 61.4392 71.9944 172.7903 60 G 4.1039 9.3150 107.4018 45.9346 0.0000 172.5274 61 K 4.5980 9.3371 120.0189 56.1269 35.3701 175.8757 62 H 4.8061 7.7564 119.1405 55.2493 29.7193 173.8104 63 G 3.8955 8.1164 104.5359 46.4891 0.0000 172.4217 64 H 4.6069 7.9171 117.0926 54.9366 29.0656 174.6814 65 A 4.8425 8.6084 125.1635 49.9025 22.4526 174.4658 66 K 4.6605 8.6695 121.4404 54.7256 34.6816 175.1239 67 V 4.5814 8.8063 128.0633 61.6375 33.5461 174.3816 68 S 5.1911 9.3170 124.6903 57.0073 65.0948 173.0294 69 I 4.8357 8.7784 126.4062 59.3714 39.9118 174.8153 70 V 4.8066 8.9277 126.5873 61.0906 33.9269 174.1525 71 A 5.1340 9.0538 129.0060 50.4838 23.0397 174.3246 72 T 4.9029 8.6420 116.9352 61.6524 71.0114 174.0040 73 D 4.8623 8.8595 127.1112 54.3453 41.6888 177.3378 74 I 3.7962 8.3689 119.7633 62.9721 38.1961 176.9815 75 F 4.8910 8.2738 118.8524 59.3612 39.8044 176.9200 76 T 4.1671 8.9086 109.1289 61.8912 69.2278 175.9978 77 G 3.9390 8.2975 109.5600 45.3202 0.0000 172.8928 78 N 4.6788 7.7511 117.4270 52.5006 40.1371 174.2650 79 R 4.5421 8.5526 123.8942 56.2051 30.8949 175.4031 80 L 4.9952 9.2182 126.0062 52.9454 45.7630 175.2250 81 E 5.1509 8.6638 119.8520 54.8241 32.9513 174.9716 82 D 4.7597 8.9157 122.0327 53.0214 45.0884 173.8737 83 Q 5.3168 8.5989 123.3237 54.4701 32.0780 174.6703 84 A 4.5932 8.7602 121.7438 49.9915 23.2658 174.2446 85 P 4.7900 0.0000 0.0000 62.8524 32.2381 177.9315 86 S 4.1968 9.2402 117.6396 61.1207 63.0928 176.1490 87 T 4.2482 7.7715 109.1866 62.4583 69.6540 174.5125 88 H 4.1216 7.9039 123.5913 56.2088 30.2746 173.8631 89 N 4.8844 8.1272 124.4208 51.8581 38.0588 175.2861 90 V 3.9650 7.9393 116.9623 61.2272 33.5411 174.9005 91 E 4.6153 8.5153 121.0475 54.9954 31.7143 175.2511 92 V 4.4279 8.0754 124.3354 59.9590 33.8094 173.1086 93 P 4.6461 0.0000 0.0000 62.6615 32.1229 175.9601 94 F 4.4477 8.6390 122.4687 57.5767 39.4884 174.8409 95 V 4.4301 8.4418 124.0011 61.1849 32.9604 174.9679 96 K 4.6126 8.6611 127.0626 55.4648 34.7985 175.8177 97 T 5.1374 7.7694 117.8949 62.1006 72.1306 173.3815 98 F 4.8151 9.4725 124.9970 55.8772 42.8742 174.0453 99 T 5.0669 8.4311 119.1380 62.1923 70.4461 173.4990 100 Y 4.8178 9.0414 123.1532 56.2116 42.4105 174.3903 101 S 5.1306 8.6606 115.8283 57.0724 64.7850 172.8025 102 V 4.4801 8.4538 126.9377 62.3647 31.4988 175.5074 103 L 4.6041 9.1201 128.3318 56.9204 42.9553 176.4304 104 D 4.6256 7.5429 115.1006 53.2633 44.7435 174.2394 105 I 4.8287 7.9306 123.7818 59.5093 39.9604 174.8067 106 Q 4.7444 8.6071 126.3154 52.8974 31.5654 173.5712 107 P 4.5950 0.0000 0.0000 62.0997 31.7979 175.9362 108 N 4.3476 8.5328 119.9785 53.2214 39.6890 174.2691 109 E 3.8783 8.8475 123.5832 58.8883 29.8540 176.4251 110 D 4.6354 8.4414 119.8904 52.0610 40.7790 174.4807 111 P 4.1783 0.0000 0.0000 65.8556 31.3742 177.9290 112 S 4.3231 7.4573 110.1935 59.2499 63.3458 174.0753 113 L 4.5502 7.6514 121.8048 52.3620 42.9432 174.6349 114 P 4.3146 0.0000 0.0000 63.0031 31.7892 176.5318 115 S 4.2651 8.3425 116.6097 58.9646 64.3526 173.0899 116 H 5.1257 9.0000 119.6829 54.8459 29.9973 174.3450 117 L 4.9036 8.4934 121.3190 52.9705 44.9023 175.3349 118 S 4.6654 8.6509 117.9869 57.0206 64.2335 172.4702 119 L 5.6699 8.3121 129.0819 52.2761 45.3362 174.7442 *121 D 4.7169 8.4392 118.8028 53.9220 40.3057 175.1663 122 D 4.5817 8.4906 116.5582 54.7153 39.5991 176.4591 123 E 4.3576 8.4580 118.3381 56.3210 30.2620 176.4771 124 G 3.9632 8.1699 106.6212 45.1948 0.0000 172.8215 125 E 4.6273 8.2501 119.1404 54.2233 31.1543 176.0775 126 S 5.0004 8.4564 118.3320 57.2221 65.2680 173.5863 127 R 4.5856 8.6080 117.1596 54.8345 32.0328 175.3908 128 E 4.7484 8.9228 118.0263 55.4004 30.3144 176.3659 129 D 4.4848 7.8937 118.3948 54.1600 40.4966 176.3003 130 L 4.5933 7.4791 120.5511 53.3981 44.6679 174.4131 131 D 4.4445 8.8582 121.6204 54.2283 40.6244 175.9763 *133 P 4.2592 0.0000 0.0000 62.4163 33.1262 176.0064 134 P 4.2888 0.0000 0.0000 65.0355 31.8049 177.2073 135 D 4.3507 8.1902 117.9614 54.3824 41.8585 176.0677 136 A 3.9249 8.6891 129.1266 55.3678 18.6174 178.9127 137 A 3.9475 8.0460 118.2689 55.2227 18.5302 179.5113 138 L 3.9252 8.2350 118.5634 58.2615 42.3165 179.0771 139 A 4.0570 8.0350 120.7138 55.3013 18.1851 179.7956 140 T 3.8703 8.1527 114.5618 66.8907 68.5269 176.9594 141 Q 4.0390 7.9765 119.6724 58.8551 28.7099 178.9582 142 I 3.7298 7.7248 120.5910 64.3083 37.2509 178.1900 143 K 3.9321 7.9111 120.1697 59.7321 32.0038 178.5614 144 E 4.0227 8.6079 119.0068 59.5641 29.0223 179.4229 145 Q 4.0208 8.2312 118.0645 58.8257 28.8531 178.5171 146 F 4.0604 8.4235 121.6403 61.6015 39.2793 176.9296 147 D 4.4492 8.2632 117.2264 57.2398 40.6317 178.5933 148 S 4.3275 7.7502 113.7698 59.4169 63.3588 175.1598 149 G 3.9391 7.6135 108.6195 44.8716 0.0000 174.1624 150 K 4.1025 7.0704 118.7770 55.9247 32.3704 176.2063 151 E 4.1812 8.6133 122.9151 56.2141 30.8907 175.3631 152 V 4.4586 8.5989 127.3441 61.7428 33.6393 174.1759 153 L 5.5887 9.1957 128.1638 52.5277 43.8113 175.9018 154 V 4.6361 8.4731 117.6521 60.2418 34.0861 175.2068 155 V 4.6435 8.4076 124.4599 61.4477 33.4027 174.4622 156 V 4.8443 9.2436 129.1803 61.5918 33.2781 174.4039 157 V 4.9204 8.9014 128.4974 61.3593 33.9762 174.2671 158 S 5.4461 8.5700 121.5441 56.1007 65.4123 173.5307 159 A 4.7690 8.3881 123.6608 51.8418 21.1648 176.6091 *161 G 4.0012 8.0353 112.0722 45.3561 0.0000 173.2485 162 T 3.7228 7.6088 117.0280 63.1252 68.8654 172.9324 163 E 4.9560 8.4085 125.1633 54.5469 32.1020 174.9046 164 Q 4.6939 8.7557 124.2713 53.9852 33.3823 173.9751 165 V 4.4631 8.4329 123.3651 62.8068 31.6532 175.4580 166 L 4.8706 9.0132 126.4718 54.4964 44.3460 176.2474 167 Q 4.7237 8.0521 118.6994 54.4971 33.0592 173.4892 168 T 5.2812 8.4191 117.0348 60.5423 70.9931 172.5416 169 K 4.7119 9.1264 125.7742 56.2430 36.7021 173.8244 170 N 5.6300 8.8740 115.8409 50.4186 42.2253 174.2244 171 A 4.5582 8.5354 121.8161 50.9716 20.9487 177.5049 172 A 4.2365 8.3114 120.6156 52.4211 19.2897 177.3712 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 24 N 8.42 4.66 0.00 2.71 2.83 0.00 0.00 6.72 7.08 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 25 A 8.47 4.51 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 26 S 8.83 4.39 0.00 3.95 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 27 K 8.85 4.76 0.00 1.92 1.90 0.00 1.73 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.66 7.81 28 T 7.49 5.00 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 1.16 0.00 0.00 29 Y 7.94 4.94 0.00 3.00 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 30 P 0.00 5.19 0.00 2.01 2.05 0.00 3.94 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 *32 A 8.32 4.24 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 33 A 9.05 4.01 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 34 G 7.84 3.74 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 0.00 0.00 0.00 35 A 7.71 4.45 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 36 L 7.48 4.25 0.00 1.69 1.59 0.90 1.23 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 37 K 8.18 4.60 0.00 1.74 1.62 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.37 7.81 38 K 8.61 3.80 0.00 1.67 1.72 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.54 7.81 39 G 8.81 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 40 G 8.11 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 41 Y 8.41 5.76 0.00 2.88 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 42 V 8.05 4.46 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 0.64 0.00 0.00 0.90 0.00 0.00 43 C 8.62 5.59 0.00 2.83 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 44 I 8.11 4.49 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.91 0.00 0.00 45 N 9.88 4.27 0.00 2.84 2.87 0.00 0.00 7.01 7.65 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 46 G 8.43 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 0.00 0.00 0.00 47 R 8.25 4.87 0.00 1.84 2.01 0.00 3.34 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 48 P 0.00 5.11 0.00 2.07 2.21 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 49 C 9.19 5.31 0.00 2.96 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 50 K 8.61 4.68 0.00 1.67 1.53 0.00 1.51 0.00 0.00 1.40 0.00 0.00 2.65 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.06 0.83 7.81 51 V 9.13 4.13 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 1.02 0.00 0.00 0.93 0.00 0.00 52 I 8.61 4.21 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.91 0.87 0.00 0.00 53 D 7.80 4.86 0.00 2.54 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 54 L 8.43 5.14 0.00 1.56 1.46 0.91 0.81 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 55 S 9.50 4.75 0.00 3.82 3.60 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 56 V 8.25 4.92 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 0.89 0.00 0.00 0.93 0.00 0.00 57 S 8.89 4.22 0.00 3.91 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 58 K 9.17 3.98 0.00 1.77 1.66 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.45 7.81 59 T 8.78 4.76 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 1.21 0.00 0.00 60 G 9.32 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 0.00 0.00 0.00 0.00 61 K 9.34 4.60 0.00 1.71 1.80 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.39 7.81 62 H 7.76 4.81 0.00 3.12 3.22 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.12 3.90 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 0.00 64 H 7.92 4.61 0.00 3.07 3.28 0.00 5.62 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 65 A 8.61 4.84 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 66 K 8.67 4.66 0.00 1.85 1.66 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.36 7.81 67 V 8.81 4.58 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 0.90 0.00 0.00 0.93 0.00 0.00 68 S 9.32 5.19 0.00 3.74 3.74 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 69 I 8.78 4.84 2.00 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 1.10 0.65 0.89 0.00 0.00 70 V 8.93 4.81 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 1.02 0.00 0.00 0.92 0.00 0.00 71 A 9.05 5.13 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 72 T 8.64 4.90 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 73 D 8.86 4.86 0.00 2.76 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 74 I 8.37 3.80 1.58 0.00 0.00 0.00 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 -0.32 0.97 0.00 0.00 75 F 8.27 4.89 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 76 T 8.91 4.17 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 1.29 0.00 0.00 77 G 8.30 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 78 N 7.75 4.68 0.00 2.69 2.76 0.00 0.00 6.72 7.66 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 79 R 8.55 4.54 0.00 1.82 1.84 0.00 3.17 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 80 L 9.22 5.00 0.00 1.55 1.50 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.66 5.15 0.00 1.79 1.80 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 2.18 2.25 0.00 82 D 8.92 4.76 0.00 2.76 2.43 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 83 Q 8.60 5.32 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.43 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 84 A 8.76 4.59 1.19 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 0.00 0.00 0.00 85 P 0.00 4.79 0.00 2.13 2.04 0.00 3.55 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 2.12 2.10 0.00 86 S 9.24 4.20 0.00 3.99 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 87 T 7.77 4.25 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 1.24 0.00 0.00 88 H 7.90 4.12 0.00 3.25 3.47 0.00 5.77 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 89 N 8.13 4.88 0.00 2.65 2.71 0.00 0.00 7.08 7.68 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 90 V 7.94 3.96 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 0.78 0.00 0.00 0.88 0.00 0.00 91 E 8.52 4.62 0.00 1.80 1.72 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 2.28 2.19 0.00 92 V 8.08 4.43 0.69 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 0.88 0.00 0.00 0.66 0.00 0.00 93 P 0.00 4.65 0.00 1.99 1.98 0.00 3.75 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 1.82 1.97 0.00 94 F 8.64 4.45 0.00 3.05 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 95 V 8.44 4.43 1.69 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 0.63 0.00 0.00 -0.16 0.00 0.00 96 K 8.66 4.61 0.00 1.94 1.77 0.00 1.77 0.00 0.00 1.39 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.68 7.81 97 T 7.77 5.14 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 1.21 0.00 0.00 98 F 9.47 4.82 0.00 3.09 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 99 T 8.43 5.07 4.18 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 1.23 0.00 0.00 100 Y 9.04 4.82 0.00 2.93 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 0.00 101 S 8.66 5.13 0.00 3.97 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 0.00 102 V 8.45 4.48 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 0.56 0.00 0.00 1.01 0.00 0.00 103 L 9.12 4.60 0.00 1.63 1.77 0.95 1.01 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 0.00 104 D 7.54 4.63 0.00 2.80 2.41 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 0.00 105 I 7.93 4.83 1.57 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.26 0.80 0.00 0.00 106 Q 8.61 4.74 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 107 P 0.00 4.60 0.00 2.04 2.04 0.00 3.37 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 108 N 8.53 4.35 0.00 2.74 2.90 0.00 0.00 6.96 7.65 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 0.00 109 E 8.85 3.88 0.00 1.96 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 2.30 2.38 0.00 110 D 8.44 4.64 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 0.00 111 P 0.00 4.18 0.00 2.06 2.13 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 2.03 2.11 0.00 112 S 7.46 4.32 0.00 4.12 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 0.00 113 L 7.65 4.55 0.00 1.79 1.59 0.96 0.95 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 0.00 114 P 0.00 4.31 0.00 2.14 2.04 0.00 3.74 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 1.96 1.98 0.00 115 S 8.34 4.27 0.00 3.74 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 0.00 116 H 9.00 5.13 0.00 3.00 3.13 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.49 4.90 0.00 1.70 1.45 0.92 0.66 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 0.00 118 S 8.65 4.67 0.00 3.86 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 0.00 119 L 8.31 5.67 0.00 1.35 1.50 0.62 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *121 D 8.44 4.72 0.00 2.81 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 0.00 122 D 8.49 4.58 0.00 2.80 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 0.00 123 E 8.46 4.36 0.00 2.07 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 2.24 2.29 0.00 124 G 8.17 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 0.00 125 E 8.25 4.63 0.00 2.21 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 0.00 2.27 2.37 0.00 126 S 8.46 5.00 0.00 4.13 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 0.00 127 R 8.61 4.59 0.00 2.03 1.90 0.00 2.46 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.25 0.00 128 E 8.92 4.75 0.00 1.88 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 2.15 2.11 0.00 129 D 7.89 4.48 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 0.00 130 L 7.48 4.59 0.00 1.58 1.52 0.73 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.86 4.44 0.00 2.67 2.38 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 *133 P 0.00 4.26 0.00 2.23 2.31 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 134 P 0.00 4.29 0.00 2.09 2.17 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 135 D 8.19 4.35 0.00 2.74 2.59 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 0.00 136 A 8.69 3.92 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 0.00 137 A 8.05 3.95 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 0.00 138 L 8.23 3.93 0.00 1.83 1.69 0.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.03 4.06 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 0.00 140 T 8.15 3.87 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 1.30 0.00 0.00 141 Q 7.98 4.04 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 142 I 7.72 3.73 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 0.91 0.00 0.00 143 K 7.91 3.93 0.00 2.03 1.85 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.49 7.81 144 E 8.61 4.02 0.00 2.25 2.01 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 2.35 2.38 0.00 145 Q 8.23 4.02 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 146 F 8.42 4.06 0.00 3.19 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 0.00 147 D 8.26 4.45 0.00 2.96 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 0.00 148 S 7.75 4.33 0.00 4.05 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 0.00 149 G 7.61 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 0.00 150 K 7.07 4.10 0.00 1.60 1.77 0.00 2.00 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.37 7.81 151 E 8.61 4.18 0.00 2.07 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 2.43 2.36 0.00 152 V 8.60 4.46 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 1.01 0.00 0.00 1.16 0.00 0.00 153 L 9.20 5.59 0.00 1.74 1.61 0.94 1.02 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 0.00 154 V 8.47 4.64 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 0.79 0.00 0.00 1.05 0.00 0.00 155 V 8.41 4.64 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 0.98 0.00 0.00 1.03 0.00 0.00 156 V 9.24 4.84 2.58 0.00 0.00 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 1.11 0.00 0.00 157 V 8.90 4.92 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 0.88 0.00 0.00 1.01 0.00 0.00 158 S 8.57 5.45 0.00 4.09 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 0.00 159 A 8.39 4.77 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 *161 G 8.04 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 0.00 162 T 7.61 3.72 3.50 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 0.47 0.00 0.00 163 E 8.41 4.96 0.00 1.84 1.82 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 2.26 2.26 0.00 164 Q 8.76 4.69 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 165 V 8.43 4.46 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 0.94 0.00 0.00 0.97 0.00 0.00 166 L 9.01 4.87 0.00 1.60 1.70 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 167 Q 8.05 4.72 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 168 T 8.42 5.28 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 1.24 0.00 0.00 169 K 9.13 4.71 0.00 1.82 1.89 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.45 7.81 170 N 8.87 5.63 0.00 2.60 2.85 0.00 0.00 7.20 7.35 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 0.00 171 A 8.54 4.56 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 0.00 172 A 8.31 4.24 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 * Residues marked with a * may have inaccurate shift predictions.