NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 Q 4.3605 8.3444 119.6969 55.3399 30.7938 174.5316 37 F 4.4297 7.6786 115.7443 56.3124 42.3357 170.9357 38 D 4.6261 7.4033 120.5867 52.7287 43.3104 174.4268 39 S 4.7037 8.5072 120.4858 57.9789 63.9195 175.6123 40 T 3.7979 7.6725 117.1321 65.5396 66.8738 174.1634 41 D 4.6801 7.8268 116.9075 54.4511 41.6733 176.5234 42 E 4.2402 7.8703 118.9554 56.4379 30.0853 176.0858 43 T 4.5912 7.9997 116.7587 60.9789 70.7941 172.9089 44 P 4.3107 0.0000 0.0000 61.9488 32.0658 176.2110 45 A 4.0172 8.2976 125.6186 52.4677 18.9320 176.7322 46 S 4.3832 7.7823 114.4908 57.8266 65.1929 173.6206 47 Y 4.7605 8.0987 121.3985 57.7785 38.4940 177.4456 48 N 4.3349 8.3656 122.1314 56.6862 38.7354 176.3979 49 L 3.9220 7.9972 121.1676 58.2179 42.2291 178.7612 50 A 4.0569 7.9470 120.5698 54.8494 18.2228 179.8862 51 V 3.5185 7.6360 116.4125 66.4436 31.6088 178.3712 52 R 3.9441 8.0384 116.4642 59.1862 29.9034 178.7710 53 R 4.1797 7.7962 116.3023 57.6977 30.5874 177.6701 54 A 4.4741 7.9935 119.4553 53.6888 20.4013 178.5686 55 A 3.9825 8.0909 119.2169 55.0953 18.1174 178.1232 56 P 4.2981 0.0000 0.0000 64.8355 31.6438 177.5107 57 A 4.6232 7.9479 118.1828 50.8931 18.7984 175.8926 58 V 4.5587 7.1635 118.8935 61.7430 32.6688 175.7897 59 V 4.6023 8.5169 121.4547 59.7898 34.8689 174.7056 60 N 4.9297 8.9694 120.5192 52.6225 40.1178 174.4298 61 V 4.6805 8.4741 124.3196 61.3033 33.9797 173.6770 62 Y 4.9230 9.2830 126.0985 56.1960 40.7622 174.3810 63 N 4.9774 9.0836 123.9379 52.7420 39.9220 173.7691 64 R 5.1643 9.0358 126.3354 54.7245 33.0371 175.8436 65 G 4.7935 9.3316 109.5219 44.2238 0.0000 171.6512 66 L 4.5936 8.5188 119.3037 54.1731 42.6800 175.4725 67 N 4.9444 8.4627 120.1153 55.4231 44.4959 176.1719 68 T 3.1829 7.6854 111.4770 64.6315 65.2341 171.6606 *75 E 4.2036 7.8441 118.5129 56.1609 31.6119 175.7871 76 I 4.4311 8.3401 123.6767 61.8387 37.4104 175.6516 77 R 4.4663 9.4881 126.6309 58.0917 31.4015 176.6427 78 T 5.0186 7.7033 113.1825 62.0352 73.5362 172.5986 79 L 4.9548 8.3220 121.5997 55.1093 43.5281 176.0480 80 G 3.9032 8.6739 107.3506 46.0355 0.0000 171.4211 81 S 5.2645 8.9571 116.8364 57.0868 67.8724 173.2279 82 G 4.4875 8.7581 106.7359 44.3294 0.0000 171.9722 83 V 4.9123 8.6207 120.2598 60.8207 34.4808 175.6048 84 I 4.3479 8.5822 129.1855 60.8737 38.9409 174.6676 *86 D 4.7217 8.3734 121.9230 53.0144 40.1859 176.4445 87 Q 3.9943 8.6714 118.1667 59.1001 28.6882 178.8711 88 R 3.8515 7.7128 115.6653 57.8366 30.4372 177.6787 89 G 3.7695 8.3618 106.6129 44.8558 0.0000 172.4815 90 Y 4.7872 7.5823 116.9918 57.7826 38.8326 175.1326 91 I 4.9206 9.0435 123.8967 59.6566 41.3888 174.3602 92 I 4.8845 8.4481 126.5036 60.5096 39.7745 174.9657 93 T 4.7991 8.5278 118.9436 61.7264 71.0240 171.3936 94 N 5.1372 8.5215 118.3717 51.9565 40.0317 176.8689 95 K 3.9529 9.1193 124.8064 59.7348 32.5338 178.9222 96 H 4.3491 8.0660 113.0602 58.0077 28.7128 176.8412 97 V 3.6628 7.1679 120.3116 64.8692 31.3549 176.4215 98 I 4.3167 7.4562 109.9009 60.1713 38.2660 175.4054 99 N 4.3102 7.7634 119.2616 55.2136 38.9784 174.3209 100 D 4.3334 8.5511 119.6398 55.3869 38.5973 173.5043 101 A 4.8207 7.7885 119.5978 50.8773 21.4242 177.4702 102 D 4.6530 8.5306 122.0684 56.6071 42.4887 176.7048 103 Q 4.7609 7.9118 118.5514 54.4574 32.9879 173.4994 104 I 4.9075 8.5291 126.5271 59.7683 39.8602 174.2993 105 I 5.0097 8.9223 128.4377 59.4955 40.0522 174.7900 106 V 5.0029 9.0264 125.8645 61.0569 34.4242 173.9828 107 A 5.2199 9.2657 129.2468 50.2633 21.8355 175.2806 108 L 4.7448 8.8227 122.7919 53.7226 43.2290 178.4736 109 Q 4.0830 8.8098 120.4526 58.9091 28.8415 177.3594 110 D 4.5341 8.0161 114.9752 53.6133 39.7621 175.8627 111 G 4.1566 8.0937 109.1296 46.0877 0.0000 175.1367 112 R 3.9476 8.4657 118.5397 56.1942 31.2572 176.2651 113 V 4.8634 7.7129 121.3515 61.1772 34.3797 174.5487 114 F 5.0226 9.2135 125.0327 55.6558 43.4489 173.2744 115 E 4.8850 9.0011 122.0416 55.3033 30.5739 175.0214 116 A 5.0627 8.9643 128.7284 50.2659 21.7144 175.6282 117 L 4.6424 8.4700 120.7907 53.0027 44.2253 175.6886 118 L 4.3917 8.4574 125.3719 55.1468 42.0771 176.3638 119 V 4.0311 8.9449 127.2564 63.5774 32.6365 176.1117 120 G 4.3476 7.3963 108.1411 46.3588 0.0000 171.7715 121 S 5.1869 8.4028 113.7542 56.6425 66.6382 173.1951 122 D 4.7891 9.1496 121.4515 52.2214 42.1814 176.6024 123 S 4.1388 8.9381 122.3160 61.5406 63.0680 175.7384 124 L 4.0946 8.1435 119.8287 57.1832 41.3012 178.0844 125 T 4.2365 7.9313 105.0890 60.7053 69.8184 174.1745 126 D 4.5233 8.4657 121.6119 55.2564 40.3165 172.6974 127 L 5.2284 7.6486 115.6663 53.0204 44.4964 175.2769 128 A 5.0727 8.9004 121.7509 50.5770 23.2392 175.1533 129 V 4.8439 9.2922 121.0228 61.1938 34.0834 174.8994 130 L 5.2814 9.1893 127.2296 52.9974 45.5805 175.2914 131 K 4.8731 8.7875 121.2030 54.9452 35.2846 175.1292 132 I 4.7791 7.9264 119.8612 58.4253 40.9956 174.7135 133 N 4.2674 8.4583 121.0738 53.4161 39.0072 174.6101 134 A 4.0776 8.3732 128.0462 53.2874 19.2857 177.0032 135 T 3.9531 7.6464 113.2817 65.1446 68.7269 174.3056 136 G 3.9608 9.1194 113.9805 44.3934 0.0000 171.2872 137 G 4.1344 7.7667 112.1395 45.0684 0.0000 173.4804 138 L 4.8586 8.2724 120.9806 51.8893 45.4098 174.7790 139 P 4.5173 0.0000 0.0000 62.4792 32.0976 175.8649 140 T 4.7445 8.0863 111.8949 59.5733 71.8334 173.2369 141 I 4.0549 7.9573 122.9721 59.9714 39.0532 173.8636 142 P 4.4211 0.0000 0.0000 62.6983 32.4159 175.4508 143 I 4.4251 8.2250 124.4188 59.4096 40.2760 174.7252 144 N 4.6765 8.0306 123.8883 51.0894 38.6798 174.3167 145 A 4.4265 8.4763 128.1240 54.5092 18.7040 178.5530 146 R 4.3295 7.9097 112.8320 56.6937 30.7485 176.7082 147 R 4.1411 8.0712 120.0213 55.6236 30.5401 175.5913 148 V 4.3836 8.1342 124.8157 58.8912 33.0567 173.8605 149 P 4.3322 0.0000 0.0000 62.7769 31.9703 175.3387 150 H 5.0508 9.6072 119.6496 53.4395 31.5673 173.6036 151 I 3.9231 8.3792 124.2650 63.2757 37.2695 176.3272 152 G 4.0539 8.9714 114.1668 45.0962 0.0000 173.6725 153 D 4.5301 8.1699 120.6412 54.1952 41.9826 176.1121 154 V 4.1838 8.3806 122.8891 63.0821 32.7708 175.1312 155 V 4.6790 9.0360 120.1982 59.5074 36.3663 174.3300 156 L 5.1581 8.7179 121.8544 52.9660 45.0675 175.4754 157 A 4.9615 9.0889 125.8203 50.8056 21.0473 175.9952 158 I 4.8296 8.4027 122.5756 60.0613 40.7084 175.2355 159 G 3.9614 8.0756 113.1150 46.0371 0.0000 171.3464 160 N 5.4277 7.6882 113.8464 50.7833 38.7000 172.3525 161 P 4.3091 0.0000 0.0000 64.0631 32.4032 176.8564 162 Y 3.9176 8.7260 118.2717 58.6559 36.2853 170.2127 163 N 4.3701 7.6317 114.0897 54.7385 37.9120 174.8610 164 L 4.2062 8.1258 116.6252 54.7378 42.4581 177.2156 165 G 4.0907 8.8720 105.3488 43.1894 0.0000 173.3755 166 Q 4.2014 8.6233 120.3285 57.3299 29.5417 176.3120 167 T 4.7721 9.7832 123.0972 61.7828 72.5982 172.7438 168 I 5.0811 8.4589 125.8115 59.7856 39.3289 175.0426 169 T 4.7639 8.9818 117.1079 59.7733 72.1734 172.5459 170 Q 4.9041 8.4430 123.5702 54.8447 31.6702 175.2071 171 G 4.1485 8.5809 112.3408 45.9727 0.0000 171.4131 172 I 5.1776 9.6724 115.2182 58.9911 42.2097 174.8551 173 I 4.1913 8.3306 123.6047 61.3036 37.0326 177.4229 174 S 4.2776 9.0287 124.7502 60.6966 63.6211 174.2855 175 A 4.5101 7.3114 119.1570 51.9475 22.1055 175.0957 176 T 4.8229 8.2653 108.7278 60.0887 72.0040 173.3192 177 G 4.0073 8.5831 106.4081 47.0365 0.0000 174.0666 178 R 4.4337 8.2516 115.6620 56.2296 30.2140 177.2375 *188 N 4.6136 7.8020 116.1980 53.2068 38.6204 173.2442 189 F 5.2841 8.1202 119.6707 55.5232 44.2007 173.1989 190 L 5.0460 9.6482 122.2244 53.5854 43.8537 175.2940 191 Q 4.9727 9.2013 124.2853 54.8419 31.6311 174.1453 192 T 5.2155 9.0579 119.1706 59.6753 71.5116 173.1550 193 D 5.6348 8.6983 123.5054 52.3417 40.5208 175.6336 194 A 4.1495 7.8373 122.0989 51.9069 18.8513 178.2853 195 S 4.0671 8.8195 118.9168 59.6242 63.4025 174.3627 196 I 4.6094 8.3627 125.0490 59.5355 39.7111 174.5119 197 N 4.9918 9.0263 120.6766 51.0755 42.9012 173.2735 198 H 4.0691 8.2076 118.6916 57.6781 29.9795 175.3086 199 G 3.7820 8.5712 114.3800 45.9167 0.0000 174.3919 200 N 4.4502 8.3859 117.1857 55.0156 39.1993 175.6566 201 S 4.3613 7.8987 114.8649 60.4055 63.2601 175.3799 202 G 4.1212 8.8667 113.4705 46.2824 0.0000 173.5488 203 G 4.0082 7.9931 107.3282 45.6018 0.0000 172.5177 204 A 5.1059 8.2322 121.2379 50.5640 21.2090 176.4044 205 L 5.0385 8.3987 121.6225 53.5079 44.2930 176.1568 206 V 4.8210 8.4880 119.1068 59.5946 36.2801 175.3681 207 N 5.5028 8.7362 120.2956 50.9164 39.7453 175.7812 208 S 4.2567 8.7724 112.2800 60.5998 63.0815 174.6927 209 L 4.2763 8.2738 120.1374 54.8862 41.9442 177.5309 210 G 3.9430 8.4015 107.4214 45.0849 0.0000 173.5343 211 E 4.1739 7.9217 119.4765 55.5060 30.1705 176.1991 212 L 4.2893 7.9391 125.3842 55.0336 43.6370 175.4685 *214 G 3.9454 8.2919 107.8062 46.3570 0.0000 171.1012 215 I 4.9841 8.4499 120.4146 59.2691 39.1995 175.8340 216 N 4.8717 9.1477 125.6075 54.7643 39.7123 173.5429 217 T 4.7700 9.0919 117.3378 62.9164 70.8905 176.4459 218 L 4.7425 9.1442 131.9984 53.7296 45.4744 175.2579 219 S 4.8191 8.1704 116.0564 56.9882 64.6412 173.6110 220 F 4.6427 8.8004 124.7454 57.8795 39.5608 174.7212 221 D 4.6851 7.7299 125.7623 53.3067 41.2044 176.5956 222 K 3.6779 6.6603 119.2694 56.6658 32.1535 175.8320 223 S 4.8186 8.4186 118.2956 56.2266 64.6519 171.7911 224 N 4.4272 8.4138 126.3027 54.7953 37.5224 175.4290 225 D 4.4337 7.0492 121.3294 54.5716 41.9016 177.0796 226 G 4.0661 7.9756 106.5877 46.0557 0.0000 173.6088 227 E 4.3919 7.5146 117.3731 55.2089 31.3201 175.2883 228 T 4.5560 8.0265 115.1096 60.8494 70.1953 172.9735 229 P 4.4078 0.0000 0.0000 62.6893 32.0277 175.2682 230 E 4.5867 8.4557 122.3224 55.3149 32.2555 175.5228 231 G 3.8437 8.7408 113.1787 46.9490 0.0000 172.9880 232 I 4.0787 7.6681 120.8648 58.9511 39.6794 174.9793 233 G 4.2476 8.6743 114.0040 44.0133 0.0000 169.8712 234 F 5.6388 8.5685 118.5610 55.5687 42.8263 174.3336 235 A 5.2382 9.1623 121.6696 50.7297 23.2302 175.2444 236 I 4.4790 8.9821 122.0635 59.6569 38.8559 173.9665 237 P 4.6008 0.0000 0.0000 62.8396 31.8660 177.2056 238 F 4.2382 9.3513 119.7644 60.4828 37.4549 177.8130 239 Q 3.6347 6.6874 117.5920 58.5329 28.4533 178.4827 240 L 3.8538 7.6353 120.4858 57.9535 41.9492 178.6117 241 A 3.9656 7.7591 119.7900 55.4343 18.4095 179.2836 242 T 3.9666 7.8763 113.2302 66.6299 68.9678 176.2019 243 K 4.0446 7.8946 121.2969 59.6153 32.1704 180.4882 244 I 3.8809 7.8190 118.2725 61.7366 36.9120 177.8378 *246 D 4.4619 8.0826 121.3744 54.4682 42.9953 178.2747 247 K 3.9118 7.9072 117.8305 59.5051 31.7873 179.3802 248 L 4.0125 8.0005 118.2425 57.7855 41.7831 179.5441 249 I 3.7038 7.4602 119.0935 64.3100 36.9299 178.1837 250 R 3.8480 7.7718 118.1489 59.5829 30.0618 177.7094 251 D 4.6494 8.5094 115.8297 55.2796 40.9990 177.2235 252 G 3.8818 7.7305 111.8820 44.8051 0.0000 173.4275 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 36 Q 8.34 4.36 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 37 F 7.68 4.43 0.00 2.95 2.96 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 38 D 7.40 4.63 0.00 2.39 2.23 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 39 S 8.51 4.70 0.00 4.07 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 0.00 40 T 7.67 3.80 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 1.25 0.00 0.00 41 D 7.83 4.68 0.00 2.69 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 42 E 7.87 4.24 0.00 2.18 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 2.38 2.33 0.00 43 T 8.00 4.59 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 44 P 0.00 4.31 0.00 2.01 1.96 0.00 3.66 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 2.01 2.07 0.00 45 A 8.30 4.02 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 46 S 7.78 4.38 0.00 3.72 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 47 Y 8.10 4.76 0.00 3.15 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 48 N 8.37 4.33 0.00 2.76 2.82 0.00 0.00 6.86 6.18 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 49 L 8.00 3.92 0.00 1.81 1.69 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.95 4.06 1.47 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 51 V 7.64 3.52 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 1.08 0.00 0.00 0.98 0.00 0.00 52 R 8.04 3.94 0.00 1.82 2.00 0.00 3.21 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.03 0.00 53 R 7.80 4.18 0.00 1.76 1.97 0.00 3.24 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 54 A 7.99 4.47 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.09 3.98 1.47 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 56 P 0.00 4.30 0.00 2.04 2.14 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 57 A 7.95 4.62 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 58 V 7.16 4.56 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 0.88 0.00 0.00 0.93 0.00 0.00 59 V 8.52 4.60 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 0.74 0.00 0.00 1.01 0.00 0.00 60 N 8.97 4.93 0.00 2.81 2.36 0.00 0.00 6.83 7.85 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 61 V 8.47 4.68 1.96 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 0.92 0.00 0.00 0.93 0.00 0.00 62 Y 9.28 4.92 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 9.08 4.98 0.00 2.96 3.00 0.00 0.00 6.68 6.98 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 64 R 9.04 5.16 0.00 1.91 1.82 0.00 3.11 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 65 G 9.33 4.79 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 66 L 8.52 4.59 0.00 1.65 1.60 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.46 4.94 0.00 2.61 2.75 0.00 0.00 7.17 7.70 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 68 T 7.69 3.18 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 1.21 0.00 0.00 *75 E 7.84 4.20 0.00 1.93 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 2.30 2.30 0.00 76 I 8.34 4.43 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.15 0.74 0.78 0.00 0.00 144 N 8.03 4.68 0.00 2.60 2.56 0.00 0.00 7.07 7.76 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 0.00 145 A 8.48 4.43 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 0.00 146 R 7.91 4.33 0.00 2.04 2.02 0.00 3.18 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 147 R 8.07 4.14 0.00 1.77 1.99 0.00 3.28 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 148 V 8.13 4.38 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 0.85 0.00 0.00 0.91 0.00 0.00 149 P 0.00 4.33 0.00 2.08 2.08 0.00 3.61 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 2.11 2.27 0.00 150 H 9.61 5.05 0.00 3.42 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.38 3.92 1.89 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 1.37 0.49 0.97 0.00 0.00 152 G 8.97 4.05 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 0.00 0.00 0.00 153 D 8.17 4.53 0.00 2.62 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 0.00 154 V 8.38 4.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.94 0.00 0.00 155 V 9.04 4.68 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 0.73 0.00 0.00 0.91 0.00 0.00 156 L 8.72 5.16 0.00 1.49 1.47 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 157 A 9.09 4.96 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 0.00 158 I 8.40 4.83 1.86 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 1.16 0.79 0.91 0.00 0.00 159 G 8.08 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 0.00 160 N 7.69 5.43 0.00 2.79 2.56 0.00 0.00 7.40 7.81 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 0.00 161 P 0.00 4.31 0.00 2.26 2.29 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 162 Y 8.73 3.92 0.00 3.13 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 0.00 163 N 7.63 4.37 0.00 2.81 2.93 0.00 0.00 7.06 7.67 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 0.00 164 L 8.13 4.21 0.00 1.79 1.76 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.87 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 0.00 0.00 0.00 166 Q 8.62 4.20 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 167 T 9.78 4.77 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 1.23 0.00 0.00 168 I 8.46 5.08 1.89 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 1.42 0.87 0.92 0.00 0.00 169 T 8.98 4.76 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 0.00 170 Q 8.44 4.90 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 171 G 8.58 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 0.00 0.00 0.00 0.00 172 I 9.67 5.18 1.91 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 1.33 1.18 0.89 0.00 0.00 173 I 8.33 4.19 2.02 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 1.23 0.68 0.93 0.00 0.00 174 S 9.03 4.28 0.00 3.67 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 0.00 175 A 7.31 4.51 1.22 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 0.00 0.00 176 T 8.27 4.82 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 177 G 8.58 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 0.00 178 R 8.25 4.43 0.00 2.15 2.06 0.00 3.44 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.06 0.00 *188 N 7.80 4.61 0.00 2.45 2.70 0.00 0.00 6.85 7.45 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 0.00 189 F 8.12 5.28 0.00 2.79 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 0.00 190 L 9.65 5.05 0.00 1.68 1.64 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 191 Q 9.20 4.97 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 192 T 9.06 5.22 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 1.17 0.00 0.00 193 D 8.70 5.63 0.00 2.65 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 0.00 194 A 7.84 4.15 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 0.00 195 S 8.82 4.07 0.00 3.77 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 I 8.36 4.61 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 0.88 0.00 0.00 197 N 9.03 4.99 0.00 2.49 2.29 0.00 0.00 6.42 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 H 8.21 4.07 0.00 3.09 2.81 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 0.00 199 G 8.57 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 0.00 200 N 8.39 4.45 0.00 2.94 2.82 0.00 0.00 6.81 8.40 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 0.00 201 S 7.90 4.36 0.00 3.84 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 0.00 202 G 8.87 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 0.00 0.00 0.00 0.00 203 G 7.99 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 0.00 204 A 8.23 5.11 1.22 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 0.00 0.00 205 L 8.40 5.04 0.00 1.80 1.57 0.98 0.92 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 V 8.49 4.82 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 0.90 0.00 0.00 207 N 8.74 5.50 0.00 2.83 2.96 0.00 0.00 6.65 7.06 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 0.00 208 S 8.77 4.26 0.00 4.23 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 0.00 209 L 8.27 4.28 0.00 1.81 1.74 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 210 G 8.40 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 0.00 211 E 7.92 4.17 0.00 2.02 1.68 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 2.31 2.24 0.00 212 L 7.94 4.29 0.00 1.63 1.32 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *214 G 8.29 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 0.00 215 I 8.45 4.98 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 1.29 1.11 1.01 0.00 0.00 216 N 9.15 4.87 0.00 2.65 2.74 0.00 0.00 6.36 7.14 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 0.00 217 T 9.09 4.77 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 1.31 0.00 0.00 218 L 9.14 4.74 0.00 1.64 1.57 0.92 0.80 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 0.00 219 S 8.17 4.82 0.00 3.86 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 0.00 220 F 8.80 4.64 0.00 3.02 2.99 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 0.00 221 D 7.73 4.69 0.00 2.67 2.64 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 0.00 222 K 6.66 3.68 0.00 1.27 1.77 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 0.86 7.81 223 S 8.42 4.82 0.00 3.86 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 N 8.41 4.43 0.00 2.93 2.89 0.00 0.00 5.90 8.07 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 0.00 225 D 7.05 4.43 0.00 2.63 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 0.00 226 G 7.98 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 0.00 227 E 7.51 4.39 0.00 2.14 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 2.30 2.44 0.00 228 T 8.03 4.56 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 0.00 229 P 0.00 4.41 0.00 2.38 2.26 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 230 E 8.46 4.59 0.00 1.89 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 0.00 2.16 2.26 0.00 231 G 8.74 3.84 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 0.00 232 I 7.67 4.08 1.83 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.93 0.60 0.00 0.00 233 G 8.67 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 0.00 0.00 0.00 0.00 234 F 8.57 5.64 0.00 2.66 2.30 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 0.00 235 A 9.16 5.24 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 0.00 236 I 8.98 4.48 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.04 0.85 0.00 0.00 237 P 0.00 4.60 0.00 1.96 1.92 0.00 3.54 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 238 F 9.35 4.24 0.00 3.26 3.35 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 0.00 0.00 0.00 0.00 239 Q 6.69 3.63 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 240 L 7.64 3.85 0.00 1.63 1.72 0.83 1.05 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 0.00 241 A 7.76 3.97 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 242 T 7.88 3.97 4.51 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 1.23 0.00 0.00 243 K 7.89 4.04 0.00 2.00 1.99 0.00 1.49 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.49 7.81 244 I 7.82 3.88 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.64 0.88 0.00 0.00 *246 D 8.08 4.46 0.00 2.85 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 0.00 247 K 7.91 3.91 0.00 1.95 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.62 7.81 248 L 8.00 4.01 0.00 1.51 1.70 0.95 0.82 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 0.00 249 I 7.46 3.70 1.75 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.28 0.61 0.00 0.00 250 R 7.77 3.85 0.00 1.89 2.08 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 251 D 8.51 4.65 0.00 2.70 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 0.00 252 G 7.73 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.