NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3433 8.3049 118.1861 55.2874 32.4086 174.4630 2 S 4.1898 7.9154 117.4032 58.4043 66.4716 174.3632 3 A 4.3511 9.3384 122.9394 52.3325 19.9911 177.0002 4 L 4.4033 7.2210 116.4309 53.2927 42.3041 175.1756 5 P 4.0866 0.0000 0.0000 62.3700 31.8903 175.3594 6 P 4.1944 0.0000 0.0000 65.7473 31.3457 178.8161 7 V 3.4927 7.8490 115.6723 65.9043 31.5257 176.3495 8 Y 3.9205 8.5141 121.1523 60.4696 38.7160 176.9209 9 S 4.2837 7.9750 111.8005 59.0766 62.8806 173.8448 10 F 4.6461 7.8989 125.1993 56.8501 38.8468 174.6311 11 P 4.1493 0.0000 0.0000 65.3990 31.4143 176.5994 12 P 4.3157 0.0000 0.0000 63.0283 31.6213 177.9421 13 L 3.7153 7.0322 121.0400 58.2246 41.7943 177.4276 14 Y 4.7851 7.5600 113.1933 59.0032 38.2159 175.2723 15 T 4.4590 7.3464 117.2368 61.4490 70.3076 174.4616 16 R 3.3133 8.0693 125.5464 55.6107 29.9757 175.8811 17 Q 4.2424 8.4887 126.0526 54.7177 29.5042 174.8249 18 P 4.2482 0.0000 0.0000 65.2183 32.0719 175.9572 19 N 4.3754 8.0608 118.4381 53.0755 37.7295 175.0619 20 S 4.1252 8.8491 122.5192 61.5307 62.4447 176.5684 21 L 4.0880 7.9672 121.9666 58.0679 41.6384 179.0435 22 T 3.8774 8.0378 115.7688 66.5306 68.2320 176.6484 23 R 3.8955 7.7899 120.8651 60.0117 30.1130 178.9038 24 R 3.7965 7.6087 118.5352 59.3146 30.3358 177.8534 25 Q 3.9101 8.0792 118.9752 59.0608 29.3374 177.0161 26 Q 3.9357 8.1649 120.9107 59.6330 29.0168 179.1037 27 I 3.8023 8.2631 120.6120 64.6152 37.0546 178.5635 28 S 4.2142 7.7148 112.0182 61.2577 62.3901 176.1810 29 T 3.9788 8.2802 119.2085 66.3773 68.2527 176.2810 30 W 4.5037 7.9467 120.5752 60.1855 29.1435 178.4239 31 I 3.7538 7.9567 119.3881 64.8283 36.3574 178.2352 32 D 4.4373 7.9594 118.2210 57.2889 40.7450 178.7291 33 I 3.8432 7.9042 119.8573 65.0115 37.2222 177.8176 34 I 3.6600 8.0777 119.6437 65.0969 37.0890 177.9587 35 S 4.2791 8.5030 114.3700 61.7998 62.9379 175.7232 36 Q 4.1274 7.8404 120.7853 56.3633 28.8499 176.1653 37 Y 4.3573 7.9793 120.5417 60.8411 39.1226 176.9434 38 C 3.7709 7.7380 115.6837 61.5083 28.3334 175.1127 39 K 2.4800 6.7164 120.2832 58.3810 31.9260 178.3980 40 T 3.8396 7.1085 115.0021 64.9471 68.4262 174.0243 41 K 4.4705 7.2340 118.9542 53.8753 34.9342 176.7760 42 K 3.9662 8.1803 117.7173 57.9708 32.0125 178.1048 43 I 3.6752 6.5140 118.8970 61.3366 37.7588 174.8362 44 W 4.8402 8.6735 120.4235 58.0704 31.2759 174.9746 45 Y 5.2318 7.4462 113.1243 55.6839 40.8473 174.3834 46 M 5.3204 9.5141 119.1487 54.0649 36.9426 175.1308 47 S 4.8193 9.0486 118.4516 57.5382 64.5279 175.8566 48 V 3.8999 7.9709 120.9385 64.5329 31.2869 177.3859 49 D 4.4822 8.2313 120.0041 56.1258 40.9153 177.3111 50 G 4.4098 9.3302 107.5025 45.6382 0.0000 172.9835 51 T 4.7403 7.8369 116.4189 62.9697 70.5505 174.7321 52 V 4.5593 8.2069 121.5578 61.4409 34.6764 172.6936 53 I 4.7510 8.6730 126.6431 59.8844 38.8669 175.1965 54 N 4.4787 8.6951 120.5132 54.1008 38.5923 175.6316 *72 S 4.5880 7.7348 111.9690 57.8247 64.1829 173.3736 73 K 4.3749 8.2536 120.6337 56.9023 36.3479 172.9956 74 N 5.2152 8.0517 116.9048 51.7458 41.8584 175.9245 75 L 3.9316 8.4006 123.2271 58.1939 42.0775 179.2582 76 F 4.7317 7.0513 114.2431 58.7621 38.7513 176.3886 77 N 4.7961 7.5522 118.4542 53.0187 39.4622 174.7699 78 N 4.5778 8.8152 118.0216 54.7367 39.6524 174.5771 79 E 4.5320 8.0984 118.7086 56.1248 29.8895 177.3146 80 D 4.7271 8.2956 118.4735 54.6434 39.3489 177.9111 81 I 4.2902 7.6013 111.7820 60.9575 36.6778 175.8444 82 Q 4.7049 7.7676 121.1376 56.6608 36.9800 175.7654 83 R 4.4150 7.8239 112.5584 56.5611 32.3050 173.1652 84 S 4.1843 7.8520 110.9791 58.0846 65.4290 174.5330 85 V 4.4466 8.4206 121.0025 61.3865 32.7312 175.7110 86 S 4.1854 8.7200 122.4119 58.5660 63.4235 174.7993 87 Q 3.9378 9.1414 125.9662 58.8677 28.5117 178.1200 88 V 3.6131 7.9531 119.0739 66.2747 31.4184 177.7363 89 F 4.4698 7.9128 118.4680 61.5524 39.3963 177.0898 90 I 2.9923 7.6439 119.2696 64.1221 36.5354 178.2373 91 D 4.5374 8.2220 119.9247 57.3700 40.5450 177.9030 92 E 3.9280 7.4723 117.1857 59.7749 29.7299 178.9078 93 I 3.5388 7.2573 119.4369 63.9523 37.1428 178.0622 94 W 4.2741 7.6543 119.4375 60.3525 28.8700 178.6590 95 S 4.4397 8.0930 112.6136 60.9417 61.2528 176.1131 96 Q 3.9389 8.1617 122.6968 59.5283 28.8828 177.7399 97 M 4.1428 8.1511 119.1741 59.1865 31.5500 178.3805 98 T 4.1007 9.0252 116.5346 66.1805 68.5122 177.6241 99 K 4.5665 7.8249 122.0107 59.2240 33.0489 176.7360 100 E 4.6271 7.7786 114.8041 56.5996 32.3085 177.9253 101 G 4.6012 7.4466 105.1958 45.1727 0.0000 173.7101 102 K 4.7966 8.7967 122.3767 56.3232 33.6576 175.9030 103 C 5.5600 8.1745 115.0618 57.3790 31.5140 172.7354 104 L 4.8516 8.4202 120.8948 53.3297 45.5499 172.6466 105 P 4.3952 0.0000 0.0000 62.4287 31.8703 175.6590 106 I 4.2356 8.3025 124.9358 59.7156 40.7609 173.9473 107 D 4.5415 8.7432 118.8212 55.0030 43.3315 175.6415 108 Q 4.3273 7.2657 115.0953 57.1846 31.9863 176.0057 109 S 4.3459 7.5531 113.7537 57.6530 63.9213 175.8927 110 G 2.8766 8.5661 112.4410 47.9147 0.0000 173.7291 111 R 4.4970 7.5730 118.3078 55.6393 30.6662 175.8578 112 R 4.6782 8.1901 114.1915 54.8460 31.8351 174.2916 113 S 4.6296 8.2469 115.6592 56.0486 64.6867 174.6872 114 S 4.3265 8.8255 123.3813 60.3869 64.0695 175.1128 115 N 4.2151 8.2712 117.3064 54.8355 36.8818 177.2025 116 T 3.8473 9.2003 120.0677 67.6696 69.3824 175.2149 117 T 4.4228 7.7138 108.0136 61.6442 69.1942 174.6498 118 T 4.5703 7.3641 111.4899 61.9409 69.1179 176.0005 119 T 3.9312 7.8667 120.3086 67.3006 70.0179 176.6252 120 R 4.3118 7.4992 117.0263 55.5076 31.9722 174.4855 121 Y 5.2244 8.6793 115.9769 56.3464 42.6640 174.3609 122 F 5.1647 9.3436 122.5335 56.8676 43.3640 173.5698 123 I 5.4602 6.6160 121.9561 59.3449 41.3162 174.3706 124 L 4.3215 8.7900 124.5834 53.0946 44.1943 176.1195 125 W 4.7552 7.4728 115.9307 58.1862 29.4141 177.1107 126 K 4.1066 6.9136 116.6030 55.3191 32.2754 176.1298 127 S 4.5905 8.2414 115.1853 57.5849 63.6572 175.0891 128 L 4.0853 8.5942 121.7094 58.0296 41.1169 179.2838 129 D 4.3810 8.1094 116.9141 57.5652 41.0634 178.5470 130 S 4.2745 8.0089 112.9791 61.1326 62.5377 175.8362 131 W 4.2169 8.5023 131.0298 60.2359 30.4333 177.8734 132 A 4.0338 8.4414 121.2255 54.9581 16.2695 179.0182 133 S 4.3336 8.0223 110.0124 60.0916 62.2918 175.1378 134 L 4.5578 7.7758 119.9115 56.0243 42.3653 177.6225 135 I 3.4618 7.2736 118.3369 61.6750 37.7115 177.1048 136 L 3.9402 7.3618 120.3601 57.9890 41.6607 178.5654 137 Q 4.2374 7.4428 116.3353 57.5935 28.8609 177.8491 138 W 3.4075 6.9920 129.5973 60.1206 30.4620 177.4838 139 F 5.0744 7.9518 115.8223 58.4466 38.5779 177.1839 140 E 4.2403 8.0835 118.3071 58.2112 29.9627 177.0112 141 D 4.6539 7.9970 117.1879 55.5953 41.3363 177.3313 142 S 4.6088 8.0367 113.7827 57.5008 64.0119 174.0468 143 G 4.0283 7.7228 108.2563 46.8251 0.0000 174.0163 144 K 4.5203 8.0994 114.7708 55.8061 32.5729 179.2893 145 L 4.0159 7.9499 121.9822 58.6075 40.3955 177.9888 146 N 4.4190 7.9525 115.5967 55.5141 39.0173 175.0685 147 Q 4.2272 7.5422 117.2566 55.6336 30.4961 175.4125 148 V 4.4350 8.0204 119.4137 61.3229 33.8492 174.2071 149 I 4.6568 8.5181 127.1936 59.5629 42.4133 173.9021 150 T 4.7786 8.1040 119.0925 59.9418 70.0600 175.2592 151 L 4.0067 8.4574 123.5461 58.1106 41.3762 179.1322 152 Y 4.5128 8.1087 117.1581 60.1196 38.6801 176.8655 153 E 4.4558 7.8554 117.5214 57.2577 30.7843 177.2897 154 L 4.3135 7.9363 117.8306 56.9139 41.3819 178.0479 155 S 4.4782 7.6812 114.1723 58.9290 64.0139 173.8807 156 E 4.8634 7.7385 119.1096 55.1802 32.5242 173.7999 157 G 4.2560 8.3835 113.8218 44.0738 0.0000 173.8736 158 D 4.8345 7.9650 122.2768 53.8239 43.6004 177.1768 159 E 4.5359 8.0673 116.5377 56.2136 29.5174 175.9237 160 T 3.9487 7.7784 114.4325 61.8345 66.5616 173.1964 161 V 4.6107 8.0764 127.8843 60.5861 34.9720 175.4653 162 N 4.5430 8.7211 116.1145 54.3233 38.3553 174.2782 163 W 4.4457 7.8645 117.9090 57.4185 29.0219 175.8378 164 E 4.5329 9.3732 124.5662 57.0967 29.7250 177.8202 165 F 4.8698 9.0495 113.6111 59.6247 38.3155 174.7873 166 H 4.0158 6.9373 117.0565 57.8329 28.2026 175.3679 167 R 4.0258 8.7144 121.7323 56.1334 28.1507 175.5634 168 M 2.5500 7.5114 118.9060 53.9577 32.2642 175.1527 169 P 4.3612 0.0000 0.0000 62.0310 32.2708 175.9071 170 E 3.8541 8.5496 117.4254 60.3603 29.2249 179.2952 171 S 4.0962 7.7437 112.0090 59.5043 63.5021 175.5053 172 L 3.9736 7.3174 122.4762 57.1129 42.1273 178.2298 173 L 3.6882 7.0377 118.5453 58.0981 41.2377 178.9452 174 Y 4.1775 7.5311 118.7312 61.2964 38.6376 177.9777 175 Y 3.5927 7.8779 117.2465 60.5198 37.7695 177.7332 176 C 4.3749 8.1534 113.3543 59.0770 30.6352 174.9748 177 L 4.2229 7.4778 121.2723 56.2844 41.3393 178.4375 178 K 3.6966 7.1041 119.1085 58.9903 32.1711 176.6875 179 P 4.3152 0.0000 0.0000 64.6330 31.1946 177.9622 180 L 4.2042 7.7767 118.2940 55.8302 41.3307 176.1334 181 C 4.9730 7.3893 116.4501 58.2687 28.7620 172.1016 182 D 4.7081 8.1256 123.7548 55.0923 42.2945 177.3838 183 R 4.4996 7.7461 115.1810 55.9321 33.2515 175.0386 184 N 5.1405 7.5877 113.4162 51.5935 42.1519 173.4888 185 R 5.3231 7.9505 112.4251 56.8554 31.5783 173.4358 186 A 4.8339 8.2801 118.0934 50.7105 22.2724 176.4914 187 T 4.2430 8.1357 114.6940 62.1769 69.0125 172.8499 188 M 5.2830 8.3083 122.7849 53.9190 36.0878 173.7471 189 L 4.9355 8.9764 122.6916 53.0671 44.9333 175.7890 190 K 4.8354 8.2341 119.5671 55.3008 36.1510 174.8191 191 D 4.4289 8.5080 120.5168 53.1902 44.1311 175.5409 192 E 3.8709 8.9056 122.1062 59.2883 29.3413 177.6277 193 N 4.5730 7.8608 113.1231 54.1389 39.1668 173.8596 194 D 4.7992 7.0233 115.4615 51.6516 42.4742 174.8410 195 K 4.4459 8.0276 113.7544 56.4555 33.8774 173.9500 196 V 4.6698 7.8800 118.6471 60.0706 37.1103 173.7449 197 I 5.1632 8.7355 121.4023 59.8418 41.1959 174.5262 198 A 4.9934 8.9479 125.9540 50.2836 23.3124 176.2305 199 I 4.1240 7.6221 118.2614 61.4525 37.3736 175.9533 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 8.30 4.34 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 2 S 7.92 4.19 0.00 3.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.34 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.22 4.40 0.00 1.57 1.63 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.09 0.00 2.11 1.99 0.00 3.48 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 2.00 2.06 0.00 6 P 0.00 4.19 0.00 2.11 2.10 0.00 3.58 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 2.08 2.08 0.00 7 V 7.85 3.49 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 0.61 0.00 0.00 0.82 0.00 0.00 8 Y 8.51 3.92 0.00 2.84 3.14 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 9 S 7.97 4.28 0.00 3.99 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 10 F 7.90 4.65 0.00 2.82 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 11 P 0.00 4.15 0.00 1.95 2.00 0.00 3.64 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 12 P 0.00 4.32 0.00 1.83 1.83 0.00 2.20 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.60 0.00 13 L 7.03 3.72 0.00 1.26 1.02 0.20 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.56 4.79 0.00 3.16 3.01 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 15 T 7.35 4.46 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 1.14 0.00 0.00 16 R 8.07 3.31 0.00 0.98 1.49 0.00 3.18 0.00 0.00 3.01 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 17 Q 8.49 4.24 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 18 P 0.00 4.25 0.00 2.16 2.14 0.00 3.74 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 19 N 8.06 4.38 0.00 2.82 2.77 0.00 0.00 6.95 7.63 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 20 S 8.85 4.13 0.00 4.10 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 21 L 7.97 4.09 0.00 1.72 1.75 0.93 0.79 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 22 T 8.04 3.88 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 1.23 0.00 0.00 23 R 7.79 3.90 0.00 2.23 1.98 0.00 3.23 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 24 R 7.61 3.80 0.00 1.94 2.07 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 25 Q 8.08 3.91 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 26 Q 8.16 3.94 0.00 2.31 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 27 I 8.26 3.80 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.87 0.87 0.00 0.00 28 S 7.71 4.21 0.00 4.04 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 29 T 8.28 3.98 4.30 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 1.03 0.00 0.00 30 W 7.95 4.50 0.00 3.50 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.96 3.75 2.10 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 1.49 0.88 0.96 0.00 0.00 32 D 7.96 4.44 0.00 2.90 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 33 I 7.90 3.84 2.31 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.98 0.95 0.00 0.00 34 I 8.08 3.66 2.21 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 0.99 0.00 0.00 35 S 8.50 4.28 0.00 4.25 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 0.00 36 Q 7.84 4.13 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 37 Y 7.98 4.36 0.00 2.96 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 C 7.74 3.77 0.00 2.90 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 6.72 2.48 0.00 0.79 1.25 0.00 1.73 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.90 0.26 7.81 40 T 7.11 3.84 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 1.12 0.00 0.00 41 K 7.23 4.47 0.00 1.39 1.50 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.32 7.81 42 K 8.18 3.97 0.00 1.66 1.82 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.29 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 43 I 6.51 3.68 1.42 0.00 0.00 0.27 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.35 0.00 0.00 86 S 8.72 4.19 0.00 3.97 4.03 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 87 Q 9.14 3.94 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 88 V 7.95 3.61 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 1.04 0.00 0.00 0.96 0.00 0.00 89 F 7.91 4.47 0.00 3.06 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 90 I 7.64 2.99 1.93 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.67 0.06 0.00 0.00 91 D 8.22 4.54 0.00 2.96 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 92 E 7.47 3.93 0.00 2.09 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 0.00 2.34 2.43 0.00 93 I 7.26 3.54 1.33 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.58 0.21 7.81 127 S 8.24 4.59 0.00 3.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.59 4.09 0.00 1.78 1.72 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.11 4.38 0.00 2.66 2.77 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 0.00 130 S 8.01 4.27 0.00 3.91 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 0.00 131 W 8.50 4.22 0.00 3.72 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 4.03 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.02 4.33 0.00 4.10 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 0.00 134 L 7.78 4.56 0.00 2.05 1.94 0.89 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.27 3.46 1.44 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.04 -0.36 0.00 0.00 136 L 7.36 3.94 0.00 1.81 1.72 0.96 0.59 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 0.00 137 Q 7.44 4.24 0.00 2.53 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 138 W 6.99 3.41 0.00 2.16 1.74 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 0.00 139 F 7.95 5.07 0.00 3.15 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 0.00 140 E 8.08 4.24 0.00 2.20 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 2.32 2.44 0.00 141 D 8.00 4.65 0.00 2.93 2.77 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 0.00 142 S 8.04 4.61 0.00 4.33 4.19 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 0.00 143 G 7.72 4.03 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 0.00 0.00 0.00 144 K 8.10 4.52 0.00 1.94 1.46 0.00 1.44 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.67 7.81 145 L 7.95 4.02 0.00 1.75 1.84 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 146 N 7.95 4.42 0.00 2.70 2.88 0.00 0.00 6.95 7.69 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 0.00 147 Q 7.54 4.23 0.00 1.82 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 148 V 8.02 4.44 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 0.73 0.00 0.00 0.87 0.00 0.00 149 I 8.52 4.66 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.25 0.81 0.00 0.00 150 T 8.10 4.78 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 1.29 0.00 0.00 151 L 8.46 4.01 0.00 1.69 1.66 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 8.11 4.51 0.00 2.92 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 0.00 153 E 7.86 4.46 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 154 L 7.94 4.31 0.00 2.03 1.86 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.68 4.48 0.00 4.11 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 0.00 156 E 7.74 4.86 0.00 1.95 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 2.27 2.39 0.00 157 G 8.38 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 D 7.96 4.83 0.00 2.65 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 0.00 159 E 8.07 4.54 0.00 2.04 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 0.00 2.38 2.14 0.00 160 T 7.78 3.95 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 1.18 0.00 0.00 161 V 8.08 4.61 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 1.05 0.00 0.00 1.25 0.00 0.00 162 N 8.72 4.54 0.00 2.68 2.69 0.00 0.00 6.95 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 0.00 163 W 7.86 4.45 0.00 3.46 3.68 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 0.00 164 E 9.37 4.53 0.00 2.31 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 0.00 2.52 2.55 0.00 165 F 9.05 4.87 0.00 3.46 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 0.00 166 H 6.94 4.02 0.00 3.56 3.27 0.00 5.57 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.71 4.03 0.00 2.30 2.64 0.00 3.43 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 168 M 7.51 2.55 0.00 1.63 1.34 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 169 P 0.00 4.36 0.00 2.11 1.99 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.86 0.00 170 E 8.55 3.85 0.00 1.87 1.84 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 2.21 2.11 0.00 171 S 7.74 4.10 0.00 3.83 3.98 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 0.00 172 L 7.32 3.97 0.00 1.17 1.15 -0.18 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.04 3.69 0.00 1.72 1.70 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 174 Y 7.53 4.18 0.00 2.84 3.11 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 0.00 175 Y 7.88 3.59 0.00 3.13 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 C 8.15 4.37 0.00 2.97 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 0.00 177 L 7.48 4.22 0.00 1.65 1.68 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 178 K 7.10 3.70 0.00 1.40 1.62 0.00 1.19 0.00 0.00 0.96 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.10 1.28 7.81 179 P 0.00 4.32 0.00 2.16 2.05 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 180 L 7.78 4.20 0.00 1.72 1.73 0.93 0.85 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 0.00 181 C 7.39 4.97 0.00 2.84 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 0.00 182 D 8.13 4.71 0.00 2.55 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 0.00 183 R 7.75 4.50 0.00 1.77 1.88 0.00 3.19 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 184 N 7.59 5.14 0.00 2.70 2.67 0.00 0.00 6.73 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 0.00 185 R 7.95 5.32 0.00 1.82 1.99 0.00 2.55 0.00 0.00 3.86 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 186 A 8.28 4.83 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 0.00 187 T 8.14 4.24 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 1.24 0.00 0.00 188 M 8.31 5.28 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 189 L 8.98 4.94 0.00 1.56 1.51 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 190 K 8.23 4.84 0.00 1.56 1.62 0.00 1.81 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.38 7.81 191 D 8.51 4.43 0.00 2.76 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 0.00 192 E 8.91 3.87 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 193 N 7.86 4.57 0.00 2.76 2.83 0.00 0.00 6.83 7.94 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 0.00 194 D 7.02 4.80 0.00 2.68 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 0.00 195 K 8.03 4.45 0.00 1.58 1.60 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.17 1.10 7.81 196 V 7.88 4.67 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 0.60 0.00 0.00 0.92 0.00 0.00 197 I 8.74 5.16 1.87 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 1.17 1.24 0.96 0.00 0.00 198 A 8.95 4.99 1.18 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 0.00 0.00 199 I 7.62 4.12 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.92 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.