NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5821 8.1633 120.7101 55.2892 33.9439 174.4595 2 T 4.2018 7.7559 116.0204 62.3371 69.9622 170.4616 3 E 4.4470 9.3577 124.9157 54.8064 33.1286 174.9016 4 T 4.5049 8.0605 121.3766 62.6762 70.0378 174.2893 5 F 4.6112 8.5071 122.6333 55.5091 43.7329 173.2899 6 A 5.1573 8.2985 122.3474 50.2648 20.4371 177.1276 7 F 4.7870 9.2800 122.3566 57.6230 39.8212 175.8797 8 Q 4.2674 9.2565 121.0316 55.6859 29.7903 177.1618 9 A 3.9353 8.6439 122.8394 55.5677 18.4880 179.7331 10 E 3.8507 8.2931 116.2301 60.0187 29.5836 179.7444 11 I 3.3767 7.6368 118.7955 64.2088 37.1090 178.0340 12 N 4.0975 7.8455 116.9575 56.4209 38.4011 177.3989 13 Q 3.8845 8.0277 119.2186 58.7322 28.7326 178.6661 14 L 3.7738 7.6803 121.1939 58.4670 42.1476 178.9134 15 M 3.8497 8.0007 119.0101 58.3117 31.7212 178.6837 16 S 4.0088 8.2046 113.6059 61.1689 62.3821 175.8873 17 L 3.8529 7.7616 122.8930 58.2366 41.6758 178.7082 18 I 3.6576 7.5873 118.6200 64.6398 37.1903 178.3024 19 I 3.9629 7.6804 118.9203 64.3108 37.2324 177.5387 20 N 4.7164 8.1053 113.6463 52.8228 39.0797 175.0172 21 T 4.6709 7.0453 117.6894 61.2472 71.1146 173.7052 22 F 4.3426 8.8210 128.0636 58.0470 40.0298 173.9096 23 Y 4.5488 7.4863 128.1765 55.5893 41.3352 174.8663 24 S 3.8081 7.9316 122.2258 61.0413 63.5281 174.4464 25 N 4.5473 6.4110 119.9075 52.6688 38.7401 176.4046 26 K 4.2081 7.9110 119.7918 59.3676 31.9768 178.2796 27 E 4.1914 8.5196 117.6508 59.0059 29.0859 178.8992 28 I 3.7382 7.6171 113.5975 63.4697 37.4147 177.8873 29 F 4.4207 8.0490 118.0444 59.1745 37.3550 177.1564 30 L 3.2409 5.9615 121.8662 58.3101 41.7668 179.6793 31 R 3.8520 7.6656 119.9293 61.4775 29.2888 180.3198 32 E 4.0858 7.8257 118.8998 59.2398 29.5078 179.3003 33 L 3.9667 7.8072 118.8747 58.1459 41.7747 179.8684 34 I 3.7303 7.8719 119.6025 64.1163 36.8879 178.5632 35 S 4.0646 8.2531 114.3341 61.4568 62.2566 175.8400 36 N 4.2702 7.9992 118.9737 56.4801 38.2713 177.5009 37 S 4.2674 7.9442 117.7288 61.0924 62.9100 176.7899 38 S 3.9566 8.0861 115.6838 61.4584 62.1785 175.8965 39 D 4.3385 8.3073 121.4810 57.3247 40.4750 178.6339 40 A 3.9661 8.1020 121.3181 55.3050 18.2889 179.5337 41 C 3.9076 7.8866 115.2703 62.7679 28.0425 175.9578 42 D 4.6575 8.2813 124.3475 57.4018 40.4856 179.6382 43 K 4.0835 8.1800 126.4881 60.6366 31.7262 181.6221 44 I 3.9851 7.7049 121.2451 64.7104 35.1769 179.9831 45 R 4.0984 7.9743 119.5123 59.6084 29.9857 177.6655 46 Y 4.2852 8.7632 122.2442 61.4221 38.8323 178.7328 47 Q 4.0593 8.3765 124.1141 60.9326 28.0664 181.3201 48 S 5.1375 7.9613 123.1503 62.7683 62.2886 178.7532 49 L 4.3557 7.4431 125.2853 60.5374 40.6462 184.1454 50 T 4.2082 7.6682 112.6237 62.8791 69.3755 177.2373 51 N 4.8961 7.9599 125.0470 50.4838 39.2821 177.4680 52 Q 4.2000 8.6909 126.2870 56.7335 28.4561 174.3720 53 S 4.4183 8.0069 115.5359 59.0132 62.3125 179.9012 54 V 4.9187 7.6946 121.1869 56.5905 35.7188 169.2152 *59 P 4.2294 0.0000 0.0000 64.2164 32.2423 177.4145 *60 H 4.4612 8.5122 117.2866 54.2077 28.7455 175.5342 61 L 4.6185 8.3504 120.6549 53.5331 42.2793 176.1639 62 R 4.8564 8.7137 119.9620 54.3801 33.6083 174.0372 63 I 4.9300 8.2598 120.4504 59.6509 40.4878 174.8366 64 R 5.0396 9.2212 125.1795 54.3547 33.9310 174.5784 65 V 4.6618 9.4223 124.7861 61.5245 33.4870 174.6560 66 I 4.7710 8.9179 131.1645 58.8108 38.9978 173.6017 67 P 4.8672 0.0000 0.0000 62.4723 32.9079 175.8655 68 D 4.6984 9.1594 121.5293 52.3790 42.4574 176.2577 69 R 3.9726 8.7259 125.4748 59.0341 30.5640 179.0862 70 V 3.7121 7.9030 116.6838 66.1210 31.6502 176.7478 71 N 4.5056 8.4100 114.5768 53.3551 38.9181 175.0841 72 K 3.8922 8.1088 117.9348 58.0675 30.1350 174.4742 73 T 4.9511 7.4872 107.0790 59.7353 73.1667 173.3844 74 L 5.0187 8.7897 124.5524 53.7838 44.9508 174.9886 75 T 5.0610 8.8654 123.5789 61.9161 71.0864 173.8324 76 V 4.8842 9.0310 127.0371 61.2442 33.7060 173.9775 77 E 5.4108 9.3121 126.8567 54.6768 32.5277 174.6239 78 D 5.5197 9.3330 119.6437 51.0143 43.5667 174.9942 79 S 4.6655 7.7475 112.6041 57.7149 63.1269 174.4069 80 G 3.8544 7.9305 111.7338 45.7670 0.0000 174.1294 81 I 3.4261 8.2416 119.1121 63.0139 37.9519 178.2682 82 G 4.1309 8.1321 103.5102 44.2715 0.0000 171.7660 83 M 4.8557 8.6105 118.1300 53.2195 34.9759 177.0455 84 T 4.3221 8.4213 113.3065 60.4588 71.5869 175.9017 85 K 3.2780 8.8288 121.9905 59.4799 31.8613 178.1915 86 A 3.8584 7.8488 120.2191 55.4308 18.1951 178.9879 87 D 4.2304 7.7376 116.5387 57.5391 40.6431 179.2816 88 L 3.7950 7.6254 118.7610 57.8713 41.4939 179.7013 89 V 3.2750 7.9160 116.9951 65.6212 31.7363 176.9375 90 N 4.6026 8.3809 114.0081 52.1731 39.2707 174.4748 91 N 3.7618 8.2430 116.8907 54.5203 36.5226 174.6216 92 L 3.5974 8.7634 113.3059 54.4635 41.5559 177.2488 93 G 3.7031 7.5577 109.7607 46.4599 0.0000 176.2276 94 T 3.8042 8.7145 112.1897 64.9839 68.3846 175.6537 95 I 3.6708 7.8950 122.6885 63.8318 37.0574 178.0899 96 A 4.0085 7.9121 120.6280 55.2340 18.4708 179.2865 97 R 3.8438 7.9907 117.2792 59.9026 29.9842 178.9303 98 S 4.3044 8.3640 115.0036 61.2930 62.8168 176.8130 99 G 3.8246 7.8353 109.3260 47.6144 0.0000 175.8999 100 T 3.9378 8.2615 118.8400 66.0819 68.5876 176.5567 101 K 3.8458 7.8551 120.9639 59.8675 32.1529 178.9940 102 S 4.3118 8.2903 115.3648 61.4314 62.7379 176.5737 103 F 3.0279 8.1648 123.4497 61.1405 39.1148 176.9249 104 M 3.6768 8.0719 118.6751 58.4132 31.8184 178.6347 105 E 3.8342 7.9208 117.8885 59.2575 29.7018 179.0482 106 A 3.9585 7.8472 120.9320 55.2480 18.0585 179.3962 107 L 3.9505 7.7085 118.8634 57.3985 41.4998 179.6686 108 E 3.9205 7.9589 116.9778 58.1796 29.4663 177.6306 109 A 4.6743 7.1076 118.4277 51.9523 19.6925 177.0679 110 G 3.9741 7.6494 107.1681 46.6199 0.0000 175.4287 111 G 3.9391 8.6613 110.1165 45.1296 0.0000 172.1545 112 D 4.8294 8.2238 117.8355 50.3632 43.0101 176.0765 113 M 4.1422 8.6240 118.5516 59.0480 31.5667 178.2057 114 S 4.3506 8.1340 112.8963 61.1147 63.3471 175.4024 115 M 4.3990 8.1725 121.2191 55.3175 32.0423 177.3245 116 I 2.2883 7.7346 121.3248 64.1049 38.0116 177.8347 117 G 3.6054 7.4792 102.5854 47.5890 0.0000 175.3925 118 Q 3.9824 7.8946 118.9605 57.5259 28.5195 177.4279 119 F 4.6521 7.7879 117.3854 56.1898 39.3637 176.7410 120 G 3.9423 7.7759 106.4148 46.2603 0.0000 174.6891 121 V 4.4353 7.4858 111.2155 60.7994 32.2113 177.6927 122 G 3.8209 8.1886 112.4896 48.8743 0.0000 175.7357 123 F 3.9647 8.4439 121.1389 61.7198 39.1220 176.6730 124 Y 4.1203 8.0772 115.7707 60.2755 37.6867 178.2256 125 S 4.2542 8.1597 115.1706 60.6491 62.9581 176.0887 126 A 3.8276 7.6044 125.9909 55.4149 18.1147 178.5724 127 Y 4.4874 7.6651 110.3802 58.7630 38.0297 176.9570 128 L 4.2167 7.9972 120.9825 56.6952 42.0403 178.1588 129 V 4.1134 7.4230 109.0682 60.3505 33.5444 174.7901 130 A 5.0362 7.6883 123.2134 50.2006 20.6841 176.3346 131 D 4.9128 8.6777 120.3307 54.1987 41.3505 176.1887 132 R 5.0817 7.6565 119.5977 55.1857 34.0301 173.4267 133 V 4.8768 8.9879 125.5237 61.4662 34.8779 173.9759 134 T 5.2155 8.9966 124.3915 61.9027 71.4407 173.2630 135 V 4.6840 9.6463 127.4351 61.3142 33.7164 174.0746 136 V 4.7582 8.8085 129.6168 61.6867 33.1154 174.6746 137 S 5.1195 9.0630 121.8315 56.6771 66.5800 172.4373 138 K 4.9253 9.1702 126.7979 54.8171 35.3675 174.5169 139 N 5.5136 8.5953 124.5148 50.6514 41.4509 174.7897 140 N 4.2940 8.9695 123.7282 57.2476 38.7072 176.8191 141 E 4.2160 8.6990 111.8457 57.0444 29.9740 177.2955 142 D 4.7859 7.7918 115.8591 54.1038 44.5688 173.7009 143 D 4.7105 8.6030 119.7909 52.9325 42.3423 175.8851 144 A 4.5821 8.1941 122.3563 52.1936 19.6317 176.3192 145 Y 5.1805 9.0719 119.6965 56.4147 42.6191 174.7548 146 T 5.2632 9.4070 118.1571 61.7503 71.7211 172.9049 147 W 5.4241 9.5573 135.0000 56.1581 32.9714 174.5766 148 E 5.1483 8.6487 126.8853 54.8834 33.1955 173.7579 149 S 4.6957 8.7900 120.6609 56.8920 66.2316 174.1847 150 S 4.7854 9.1137 121.2033 57.2763 63.6417 175.9440 151 A 3.5287 8.4292 123.0043 53.3199 16.5808 179.3945 152 G 3.8297 9.4435 102.6765 47.4399 0.0000 174.9154 153 G 4.6973 8.6666 109.1760 44.7376 0.0000 173.7145 154 T 5.2550 7.6663 108.3250 60.0482 71.9299 173.2034 155 F 4.9348 8.2423 116.1989 55.7963 41.5798 173.0800 156 T 5.0567 8.7150 110.6989 60.0016 71.9596 173.3899 157 V 4.9798 8.8433 122.4975 61.9826 34.5096 174.0025 158 T 5.1995 9.0829 125.4354 60.7317 71.4320 174.0412 159 S 3.8124 8.8126 120.9765 58.5114 62.9375 173.8591 160 T 4.4566 8.2272 118.1564 58.6179 69.2421 170.3910 161 P 4.1715 0.0000 0.0000 63.5604 31.4749 176.2137 162 D 4.7500 8.4012 126.1412 52.7768 41.0228 176.2066 163 C 4.2507 8.3736 122.4164 60.0942 28.4741 174.9107 164 D 4.6023 8.1319 117.0545 55.4230 39.4696 182.8087 165 L 4.4389 7.5880 121.5526 54.5812 42.7062 181.6436 166 K 4.1728 8.5365 126.3064 56.1681 32.1588 175.2818 167 R 4.6591 7.7988 118.4188 55.5530 33.6606 172.8620 168 G 4.1560 7.9923 107.7795 44.0389 0.0000 172.4128 169 T 5.0410 8.5318 115.6667 61.7563 73.0514 173.2344 170 R 4.6032 9.3726 126.1557 54.6431 33.0127 174.1172 171 I 4.8804 8.7440 127.9852 59.7221 39.8466 174.9194 172 V 4.5398 8.8583 128.7662 61.3213 33.2137 174.4191 173 L 4.7491 8.8740 129.7231 53.5829 43.5618 175.5837 174 H 4.7967 9.0364 125.6455 54.8144 30.3653 174.4349 175 L 4.6020 7.8003 125.3958 54.3898 42.2656 177.9976 176 K 4.1746 9.0484 124.8055 56.6956 32.8036 178.6653 177 E 3.9662 8.9412 117.9690 59.3026 29.5011 178.9604 178 D 4.7169 8.0695 115.4124 54.2103 39.9941 176.4702 179 Q 4.7396 8.0965 119.3829 56.0957 29.4942 177.1909 180 Q 4.2441 8.1171 117.9675 57.5746 28.9910 178.0697 181 E 3.9237 7.9021 116.3913 58.8992 29.8547 177.6406 182 Y 4.7349 7.4354 116.0887 58.2712 37.8389 175.8909 183 L 4.4461 7.5829 121.2565 56.3543 43.0546 178.1060 184 E 4.0976 7.7884 119.1269 55.9452 30.8510 177.4864 185 E 3.9137 8.7105 124.2734 59.4446 29.9709 179.0510 186 R 3.8487 7.9237 118.2361 59.4209 30.3197 178.0470 187 R 3.8881 7.9951 117.9545 59.5687 30.0112 178.3533 188 L 4.1367 8.0405 120.6804 58.2361 41.6011 179.9023 189 K 3.9120 8.2663 123.8440 60.2452 31.6218 180.5354 190 D 4.5481 8.2663 120.0979 57.1027 40.5154 178.9084 191 L 4.0435 7.6681 119.5289 58.0492 42.0600 178.8985 192 I 3.9311 8.4072 122.7371 64.7925 36.8918 179.0365 193 K 4.0690 8.1186 125.8018 60.5873 31.6511 181.4814 194 K 4.3333 8.0550 123.7252 58.7494 31.5198 178.9809 195 H 5.0871 7.8028 115.2350 56.2775 29.7578 173.6661 196 S 4.7105 7.8994 114.4118 56.2732 66.0193 176.7341 *200 G 3.7367 8.3797 104.4460 46.3344 0.0000 172.3662 201 Y 4.7805 7.4476 115.3417 55.5605 42.1356 174.2531 202 D 4.6462 8.7372 122.4726 54.5854 42.3461 175.3628 203 I 4.6577 8.3470 123.9269 59.8338 38.6791 174.8039 204 E 4.3932 9.2266 128.6173 55.1894 31.0303 175.3565 205 L 4.8460 8.5300 126.8863 53.8098 43.6214 175.8020 206 M 4.4249 9.0817 130.7404 54.8056 31.9591 177.0330 207 V 4.1377 8.3730 123.4468 60.0846 33.3024 173.5560 208 E 4.8205 8.5182 120.7441 54.8475 32.0634 176.3083 209 N 4.5875 8.4073 117.6564 52.5044 38.4786 173.8982 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 M 8.16 4.58 0.00 1.73 2.10 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 T 7.76 4.20 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 1.18 0.00 0.00 3 E 9.36 4.45 0.00 2.18 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 1.98 2.20 0.00 4 T 8.06 4.50 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 1.01 0.00 0.00 5 F 8.51 4.61 0.00 1.51 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 0.00 0.00 0.00 0.00 6 A 8.30 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 7 F 9.28 4.79 0.00 3.17 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 8 Q 9.26 4.27 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 9 A 8.64 3.94 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 10 E 8.29 3.85 0.00 2.05 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 2.40 2.46 0.00 11 I 7.64 3.38 1.75 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 -0.15 0.00 0.00 12 N 7.85 4.10 0.00 2.90 2.83 0.00 0.00 7.00 8.65 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 13 Q 8.03 3.88 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 14 L 7.68 3.77 0.00 1.64 1.55 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 M 8.00 3.85 0.00 1.69 1.70 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 16 S 8.20 4.01 0.00 3.89 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 17 L 7.76 3.85 0.00 1.80 1.70 0.79 0.88 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 18 I 7.59 3.66 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.98 0.00 0.00 19 I 7.68 3.96 1.95 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 1.62 0.55 0.95 0.00 0.00 20 N 8.11 4.72 0.00 2.75 2.86 0.00 0.00 6.94 7.89 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 21 T 7.05 4.67 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 1.27 0.00 0.00 22 F 8.82 4.34 0.00 3.03 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 23 Y 7.49 4.55 0.00 2.70 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 24 S 7.93 3.81 0.00 3.93 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 25 N 6.41 4.55 0.00 2.41 2.15 0.00 0.00 7.20 6.55 0.00 0.00 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 K 7.91 4.21 0.00 1.93 1.87 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.67 7.81 27 E 8.52 4.19 0.00 2.36 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 2.53 2.37 0.00 28 I 7.62 3.74 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.90 1.01 0.00 0.00 29 F 8.05 4.42 0.00 3.24 3.29 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 30 L 5.96 3.24 0.00 0.65 1.21 0.71 0.88 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 31 R 7.67 3.85 0.00 1.85 1.94 0.00 3.31 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 32 E 7.83 4.09 0.00 2.04 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 2.58 2.47 0.00 33 L 7.81 3.97 0.00 1.91 1.69 1.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.87 3.73 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.03 0.00 114 S 8.13 4.35 0.00 4.12 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 0.00 115 M 8.17 4.40 0.00 2.41 2.63 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.65 0.00 116 I 7.73 2.29 1.79 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.79 0.88 0.00 0.00 117 G 7.48 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 0.00 0.00 0.00 118 Q 7.89 3.98 0.00 1.83 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 119 F 7.79 4.65 0.00 2.94 3.22 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 0.00 120 G 7.78 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 0.00 121 V 7.49 4.44 2.29 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 0.97 0.00 0.00 0.97 0.00 0.00 122 G 8.19 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 0.00 123 F 8.44 3.96 0.00 2.93 2.80 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 0.00 124 Y 8.08 4.12 0.00 3.33 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 0.00 125 S 8.16 4.25 0.00 4.11 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 0.00 126 A 7.60 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.67 4.49 0.00 3.17 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 0.00 128 L 8.00 4.22 0.00 1.63 1.73 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.42 4.11 1.53 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 0.28 0.00 0.00 -0.61 0.00 0.00 130 A 7.69 5.04 1.02 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 0.00 131 D 8.68 4.91 0.00 2.90 2.98 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 0.00 0.00 0.00 132 R 7.66 5.08 0.00 1.93 1.81 0.00 3.14 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 133 V 8.99 4.88 2.39 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 1.11 0.00 0.00 0.15 0.00 0.00 134 T 9.00 5.22 4.36 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 1.33 0.00 0.00 135 V 9.65 4.68 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 0.76 0.00 0.00 0.91 0.00 0.00 136 V 8.81 4.76 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 0.80 0.00 0.00 1.00 0.00 0.00 137 S 9.06 5.12 0.00 3.88 3.62 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 0.00 138 K 9.17 4.93 0.00 1.88 1.59 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.56 1.42 7.81 139 N 8.60 5.51 0.00 2.64 2.63 0.00 0.00 7.68 6.71 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 0.00 140 N 8.97 4.29 0.00 2.73 2.88 0.00 0.00 6.87 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 0.00 141 E 8.70 4.22 0.00 1.97 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 2.26 2.11 0.00 142 D 7.79 4.79 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.60 4.71 0.00 2.72 2.45 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 0.00 0.00 0.00 0.00 144 A 8.19 4.58 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 0.00 145 Y 9.07 5.18 0.00 2.97 2.89 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 0.00 146 T 9.41 5.26 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 1.33 0.00 0.00 147 W 9.56 5.42 0.00 3.38 3.12 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 0.00 148 E 8.65 5.15 0.00 2.08 1.66 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 2.20 2.31 0.00 149 S 8.79 4.70 0.00 3.43 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 0.00 150 S 9.11 4.79 0.00 3.95 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 0.00 151 A 8.43 3.53 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 0.00 152 G 9.44 3.83 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 0.00 0.00 0.00 153 G 8.67 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 0.00 154 T 7.67 5.25 4.12 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 1.18 0.00 0.00 155 F 8.24 4.93 0.00 2.22 2.33 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 0.00 156 T 8.71 5.06 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 1.10 0.00 0.00 157 V 8.84 4.98 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 1.11 0.00 0.00 1.21 0.00 0.00 158 T 9.08 5.20 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 1.28 0.00 0.00 159 S 8.81 3.81 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 0.00 160 T 8.23 4.46 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 1.25 0.00 0.00 161 P 0.00 4.17 0.00 2.02 2.02 0.00 3.56 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 1.97 1.98 0.00 162 D 8.40 4.75 0.00 2.89 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 0.00 163 C 8.37 4.25 0.00 2.77 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 0.00 164 D 8.13 4.60 0.00 2.69 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 0.00 165 L 7.59 4.44 0.00 1.60 1.46 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.54 4.17 0.00 1.77 1.76 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.01 7.81 167 R 7.80 4.66 0.00 1.78 1.72 0.00 3.11 0.00 0.00 3.54 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 168 G 7.99 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 T 8.53 5.04 4.33 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 1.18 0.00 0.00 170 R 9.37 4.60 0.00 1.81 1.78 0.00 3.07 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 171 I 8.74 4.88 1.92 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 1.20 0.60 1.02 0.00 0.00 172 V 8.86 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 1.01 0.00 0.00 0.98 0.00 0.00 173 L 8.87 4.75 0.00 1.77 1.45 1.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 174 H 9.04 4.80 0.00 3.24 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 L 7.80 4.60 0.00 1.56 1.55 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 176 K 9.05 4.17 0.00 1.80 1.90 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.48 7.81 177 E 8.94 3.97 0.00 1.98 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 2.24 1.89 0.00 178 D 8.07 4.72 0.00 2.82 2.84 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 0.00 0.00 0.00 0.00 179 Q 8.10 4.74 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 180 Q 8.12 4.24 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.91 0.00 0.00 0.00 0.00 0.00 2.66 2.29 0.00 181 E 7.90 3.92 0.00 1.87 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 1.80 1.47 0.00 182 Y 7.44 4.73 0.00 3.01 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 0.00 183 L 7.58 4.45 0.00 1.78 1.73 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 184 E 7.79 4.10 0.00 2.05 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 2.31 2.29 0.00 185 E 8.71 3.91 0.00 2.04 1.94 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 2.39 2.38 0.00 186 R 7.92 3.85 0.00 1.91 1.90 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 187 R 8.00 3.89 0.00 1.90 2.12 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 188 L 8.04 4.14 0.00 1.81 1.73 1.02 0.89 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 0.00 189 K 8.27 3.91 0.00 1.75 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.37 7.81 190 D 8.27 4.55 0.00 2.70 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 0.00 191 L 7.67 4.04 0.00 1.96 1.88 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 192 I 8.41 3.93 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.06 0.91 0.00 0.00 193 K 8.12 4.07 0.00 1.84 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.33 7.81 194 K 8.06 4.33 0.00 1.85 1.76 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.35 7.81 195 H 7.80 5.09 0.00 3.10 3.26 0.00 5.56 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 S 7.90 4.71 0.00 3.57 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 *200 G 8.38 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 0.00 201 Y 7.45 4.78 0.00 3.04 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 0.00 202 D 8.74 4.65 0.00 2.65 2.61 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 0.00 203 I 8.35 4.66 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.91 0.00 0.00 204 E 9.23 4.39 0.00 1.90 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 2.30 2.26 0.00 205 L 8.53 4.85 0.00 1.62 1.57 1.00 0.99 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 0.00 206 M 9.08 4.42 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 207 V 8.37 4.14 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 0.71 0.00 0.00 0.93 0.00 0.00 208 E 8.52 4.82 0.00 1.96 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 2.14 1.84 0.00 209 N 8.41 4.59 0.00 2.69 2.53 0.00 0.00 6.59 7.56 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 * Residues marked with a * may have inaccurate shift predictions.