NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5174 8.1933 115.4253 58.5382 65.1882 175.5292 3 D 4.3629 7.8015 120.8750 53.8690 40.9309 177.0804 4 K 3.9462 8.1383 121.0023 59.3396 32.7969 177.9780 5 F 2.8525 7.8519 120.3451 60.9966 39.3909 176.5479 6 N 3.8862 7.8970 116.0660 56.2740 37.7654 177.2196 7 Q 3.8632 8.2942 121.2690 58.8401 29.2549 177.8928 8 F 4.0077 7.8448 121.6263 61.4061 39.3857 177.0172 9 I 3.2239 7.6781 118.4442 63.8986 37.4321 177.5240 10 N 4.1806 7.4573 115.7485 55.6515 38.3193 177.1926 11 R 3.9447 7.0203 118.3353 58.7061 30.3940 178.6279 12 V 3.5652 6.8616 110.2716 61.1810 31.8744 175.9942 13 L 4.4085 7.0874 121.2581 53.1239 42.8479 176.2456 14 S 4.3750 8.5440 120.4024 58.7705 62.9694 173.3205 15 H 4.8000 8.7724 120.0206 56.1455 29.1007 174.8134 16 E 4.3706 8.3776 122.8082 54.2013 30.3734 176.8694 17 G 2.0000 7.8800 116.0122 46.1129 0.0000 173.6133 18 G 4.0421 7.9671 106.5179 45.5337 0.0000 173.0377 19 Y 4.4189 7.8395 118.8136 58.3438 39.7337 175.0471 20 A 4.2339 7.3814 125.4780 51.4780 23.4553 174.0073 21 N 4.5690 7.9106 113.5973 53.5432 41.5160 173.5128 22 H 4.7829 8.3261 123.1557 53.8647 33.2703 172.3379 23 P 4.2669 0.0000 0.0000 65.7109 31.3081 178.1140 24 K 4.1803 8.0877 115.1731 58.4709 31.9763 176.8471 25 D 4.7824 7.7898 117.9688 51.1483 41.1630 173.3862 26 P 4.3096 0.0000 0.0000 65.2135 32.1455 179.0665 27 G 3.7081 8.1539 106.0523 47.5783 0.0000 174.6614 28 G 3.9171 7.7737 106.9517 44.7462 0.0000 173.5262 29 E 4.0109 7.9683 122.8371 56.9206 30.7493 175.8740 30 T 5.8292 8.1797 121.0466 60.9029 72.8751 172.4595 31 N 5.0771 8.5093 122.3345 52.4970 42.9564 173.9184 32 W 3.7853 9.2537 123.2256 57.8055 27.3684 175.8165 33 G 4.1454 8.5262 104.1326 46.5040 0.0000 173.8302 34 I 4.4157 7.9124 122.1059 59.6163 38.9774 175.7648 35 T 4.6802 8.2591 115.7255 60.9480 71.0940 175.6316 36 K 4.0288 8.6210 122.9406 59.7678 32.3200 179.2239 37 R 3.9661 8.0834 118.3681 59.7886 29.7609 179.2191 38 T 3.9129 7.9501 114.7066 66.3782 68.3439 176.7778 39 A 3.9541 8.1877 122.7136 55.4792 18.2929 179.8310 40 Q 4.2683 8.5714 116.6085 58.3346 28.8739 178.2100 41 A 4.3213 7.8409 119.4015 53.2915 18.5916 177.1075 42 N 4.9402 7.7278 114.6219 52.8654 39.8719 175.7316 43 G 3.9110 8.8801 107.8449 45.1255 0.0000 173.4227 44 Y 4.4289 8.3114 121.8525 56.3994 38.9803 175.1085 45 N 4.8450 8.1519 123.3461 52.6841 39.7389 175.1503 46 G 3.4712 6.1148 107.8519 44.6588 0.0000 174.2045 47 S 4.3960 8.1210 114.2179 57.9409 62.8739 174.5603 *49 R 3.6532 8.5566 115.5143 56.2819 31.5156 177.2066 50 A 4.2162 7.2716 120.6961 51.4202 16.3999 176.5844 *52 T 4.2640 7.5304 113.2930 60.7721 71.7006 175.0155 53 R 2.5100 7.5583 119.8951 58.7381 29.7273 178.1000 54 E 3.8391 7.7488 118.0084 59.5283 29.5106 179.2171 55 Q 3.9847 7.8885 117.5410 58.6936 28.7117 178.6339 56 A 3.8667 7.6368 121.7849 55.0697 18.3661 179.5149 57 I 3.9387 7.8219 118.4362 64.9636 37.3575 178.5993 58 S 4.1744 7.9859 113.5343 61.3208 62.0814 176.3205 59 I 3.7770 7.7777 122.6219 64.6812 36.5015 177.9415 60 Y 4.5408 8.5173 117.9877 61.2245 37.7277 178.6490 61 R 3.0921 8.5251 119.8250 59.0138 30.0006 178.6925 62 K 4.2174 7.9354 118.1357 58.7013 32.2008 179.2886 63 A 3.8946 8.2668 119.8033 54.3713 18.6391 177.8838 64 F 5.0371 8.6504 117.7622 60.1597 40.7327 177.6646 65 W 4.0200 8.3994 126.9450 60.5069 30.3999 177.9906 66 E 3.8533 8.3658 118.4198 59.2201 28.9241 178.7477 67 R 3.6293 7.5705 117.8390 59.3482 29.9923 176.8365 68 Y 4.5643 7.5603 111.2418 56.8505 38.4666 175.7529 69 R 3.4452 7.5785 117.6473 57.0661 28.2134 178.0812 70 A 3.7711 7.0524 120.1141 54.1040 18.6351 179.4338 71 D 3.7276 6.4656 114.2895 55.2764 40.2675 176.9366 72 Q 4.1191 7.1054 121.2679 54.4552 28.0049 174.3520 *74 P 4.1897 0.0000 0.0000 61.8911 34.4555 176.9506 75 E 3.8160 8.6534 121.1883 59.6302 29.6143 179.2967 76 A 4.3335 7.5517 118.5190 55.0743 18.2971 179.9047 77 V 3.5623 7.8049 116.2573 66.0578 31.6800 177.7192 78 A 4.3791 8.2697 120.7683 55.5114 18.2836 179.5476 79 F 4.5917 8.4761 116.0218 61.2814 39.0921 178.0859 80 Q 4.3051 8.4118 117.1269 58.8711 28.4823 178.5663 81 F 4.7334 9.0004 122.3982 61.1845 39.4251 176.9504 82 F 3.5458 8.9276 120.6778 61.1520 39.1468 176.3380 83 D 4.3652 8.3205 117.1931 57.5803 40.9209 178.1755 84 A 4.0912 8.2440 120.9741 55.4797 18.3874 179.3925 85 C 3.8313 7.9488 115.1721 62.7896 27.8254 176.5997 86 V 3.3455 7.1004 118.6975 65.8236 31.1465 177.6300 87 N 4.4777 8.0479 115.3415 55.9652 38.5887 176.3010 88 H 4.8824 8.2790 114.8083 54.1413 30.9303 175.5002 89 G 4.0735 7.5685 108.1941 45.3255 0.0000 174.3980 90 Y 3.9569 8.9850 119.1823 60.7848 38.0665 179.1083 91 G 3.7731 8.3224 106.0652 47.9704 0.0000 174.9497 92 N 4.2467 8.2369 117.3090 56.0486 38.6442 176.7890 93 A 4.2504 7.8984 120.1639 55.1276 18.7214 179.1872 94 A 4.1382 8.4180 119.5043 55.2083 18.5062 181.0785 95 R 4.4533 8.0603 116.7478 56.2640 30.3200 178.9091 *97 L 4.1407 7.9330 121.8375 55.2973 44.1341 178.5192 98 Q 3.9792 8.2925 117.4823 59.1206 29.1149 178.9691 99 R 3.9097 8.4790 116.9361 59.2539 30.3241 178.9953 100 A 4.0190 8.1626 119.0165 55.0655 18.4737 178.1416 101 A 4.1124 7.9102 116.6801 52.8329 18.7935 177.8933 102 G 3.8614 7.8992 103.3079 46.2697 0.0000 173.8955 103 V 4.4867 7.3285 111.2516 57.9024 34.5040 174.2296 104 P 4.2977 0.0000 0.0000 63.3378 31.8230 177.4982 105 D 4.8953 8.4047 124.5140 52.1683 37.9192 175.8240 106 D 4.5490 7.9450 120.6793 54.2303 40.5502 178.4105 107 G 4.0005 9.1963 109.7035 45.1844 0.0000 173.5764 108 V 4.1566 7.7735 119.8404 61.6786 32.0910 176.3134 109 I 4.2737 8.3162 129.7609 59.5906 36.5492 176.0934 110 G 4.2706 7.6504 117.0677 44.2449 0.0000 171.9530 111 A 3.9173 8.6788 120.2325 55.2459 18.5376 180.0606 112 V 3.4884 7.6283 116.1523 66.1954 31.7038 178.1917 113 S 4.0768 7.9596 114.3648 61.7450 62.6760 176.6672 114 L 3.9091 7.9924 121.5940 57.4994 41.3815 179.4027 115 K 3.8413 8.2111 119.5033 59.3784 32.1546 178.7858 116 A 3.9398 7.8384 120.5060 55.1472 18.1159 179.5484 117 I 3.5508 7.7401 117.4970 64.6975 37.3225 178.0499 118 N 4.5264 8.1272 114.9095 55.1517 38.6035 177.1063 119 S 4.3503 7.6158 115.9136 59.6121 63.6519 174.9149 120 L 4.2298 7.1882 120.7245 53.3456 42.3175 175.6652 121 P 4.2897 0.0000 0.0000 62.9171 32.9632 177.2312 122 E 3.9295 8.8083 122.6448 59.4820 29.6608 178.8270 123 N 4.3574 8.2187 116.5512 56.1527 37.2353 176.7428 124 D 4.3095 8.0284 120.5313 57.0090 40.9769 178.1352 125 L 3.9537 7.8716 120.7841 58.4195 42.0717 179.1369 126 L 4.2013 8.2044 118.7464 57.2650 41.5409 179.1671 127 L 3.9785 8.2089 120.7877 58.3856 42.0953 179.3572 128 R 3.9894 8.0010 117.8192 59.0207 29.9939 178.8417 129 F 4.3789 8.6811 120.8603 61.6508 39.4593 177.0335 130 N 4.1822 8.5378 115.9473 55.9765 38.2841 177.1721 131 A 4.0136 7.9956 122.2691 55.4168 18.5929 179.5538 132 E 3.9939 8.3048 116.9094 59.5333 29.4917 179.9186 133 R 3.9512 7.9351 118.0894 59.2203 30.0898 178.9953 134 L 4.4322 8.1876 118.8595 58.0320 41.4392 179.6789 135 V 3.7237 7.6263 116.8319 65.9543 31.4774 177.5935 136 F 4.1181 7.9400 118.9587 61.5809 39.3018 176.3739 137 Y 4.0592 8.5399 118.7724 59.3563 38.2897 176.3121 138 T 4.4852 6.6778 106.3562 60.9425 69.8760 173.8229 139 K 4.2255 6.8475 122.8199 55.5269 31.7468 175.7035 *141 G 3.8172 8.6373 116.2851 44.9932 0.0000 172.7855 142 T 4.2601 7.5722 107.0140 62.1743 70.8352 174.4729 143 F 3.7875 7.2804 122.5998 58.5477 39.9595 173.9868 144 T 4.5204 6.4195 114.6700 59.4897 71.8249 174.7258 145 S 4.0426 8.3417 116.5237 61.3385 62.8012 176.4716 146 F 4.2453 7.1184 118.4622 59.4151 38.7682 176.5194 147 G 4.2924 8.1819 108.7292 43.9310 0.0000 175.5837 148 K 4.4071 8.0620 122.7435 59.4110 32.0256 179.3587 149 G 3.7208 8.2579 105.5581 47.5657 0.0000 175.3488 150 W 3.9535 8.2768 130.2220 60.1617 30.6860 178.1003 151 V 3.7581 8.1109 118.0516 65.9243 31.0284 177.8063 152 R 3.8386 7.9681 118.4169 59.5623 29.9927 178.4471 153 R 4.0576 7.5327 119.2199 58.9133 30.0686 178.6819 154 V 3.2753 7.1579 117.7774 65.6608 31.3124 177.7833 155 A 3.9797 8.1005 120.8500 55.2382 17.8935 179.5918 156 Q 3.9213 8.1177 116.5381 59.1211 28.6973 178.6985 157 N 4.3291 7.8208 116.9850 56.2138 38.3715 177.1718 158 L 3.9374 7.5899 120.2756 58.1787 42.5382 178.6028 159 I 3.8381 8.0130 120.0976 64.8069 37.1877 177.7855 160 H 4.0679 8.5288 118.9127 59.2428 29.5249 176.6365 161 A 4.2537 8.1126 120.1845 53.5026 18.4022 178.6330 162 S 4.3696 7.9002 111.5905 59.1522 63.8471 173.0364 163 A 4.8173 7.3497 124.3366 50.2605 21.6852 174.7786 164 D 4.8205 8.2982 116.8253 52.2958 41.2963 176.1277 165 N 4.5412 8.4693 117.3440 53.8021 39.1622 174.1410 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 2 S 8.19 4.52 0.00 4.06 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 3 D 7.80 4.36 0.00 2.88 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 4 K 8.14 3.95 0.00 1.97 1.97 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.75 7.81 5 F 7.85 2.85 0.00 1.95 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 6 N 7.90 3.89 0.00 2.74 2.73 0.00 0.00 6.72 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 7 Q 8.29 3.86 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 8 F 7.84 4.01 0.00 3.10 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 9 I 7.68 3.22 0.76 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.05 0.36 0.00 0.00 10 N 7.46 4.18 0.00 2.70 2.75 0.00 0.00 7.08 7.59 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 11 R 7.02 3.94 0.00 1.74 1.66 0.00 3.28 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 12 V 6.86 3.57 1.15 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 0.03 0.00 0.00 -0.51 0.00 0.00 13 L 7.09 4.41 0.00 1.36 1.51 1.28 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.54 4.37 0.00 3.91 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 15 H 8.77 4.80 0.00 3.23 3.47 0.00 5.93 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 16 E 8.38 4.37 0.00 1.96 1.76 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 2.17 2.33 0.00 17 G 7.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.97 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 0.00 0.00 0.00 19 Y 7.84 4.42 0.00 3.00 2.86 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 20 A 7.38 4.23 1.01 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 21 N 7.91 4.57 0.00 2.46 2.56 0.00 0.00 6.58 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 22 H 8.33 4.78 0.00 3.08 3.02 0.00 5.73 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 23 P 0.00 4.27 0.00 2.03 2.06 0.00 3.17 0.00 0.00 3.42 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 24 K 8.09 4.18 0.00 1.87 1.90 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.44 7.81 25 D 7.79 4.78 0.00 2.68 2.48 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 26 P 0.00 4.31 0.00 2.24 2.12 0.00 3.67 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 2.13 2.22 0.00 27 G 8.15 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 0.00 0.00 0.00 28 G 7.77 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.97 4.01 0.00 2.17 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 2.43 2.46 0.00 30 T 8.18 5.83 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 31 N 8.51 5.08 0.00 3.04 2.74 0.00 0.00 7.24 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 32 W 9.25 3.79 0.00 3.54 3.42 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 33 G 8.53 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 34 I 7.91 4.42 1.98 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.74 0.85 0.00 0.00 35 T 8.26 4.68 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 36 K 8.62 4.03 0.00 2.08 1.99 0.00 1.88 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.51 1.60 7.81 37 R 8.08 3.97 0.00 1.97 2.02 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 1.69 1.81 0.00 38 T 7.95 3.91 4.44 0.00 0.00 0.00 0.00 0.00 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 39 A 8.19 3.95 1.50 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 0.00 0.00 40 Q 8.57 4.27 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.71 2.45 0.00 41 A 7.84 4.32 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 42 N 7.73 4.94 0.00 2.83 2.76 0.00 0.00 7.23 7.53 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 43 G 8.88 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 44 Y 8.31 4.43 0.00 3.06 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 45 N 8.15 4.84 0.00 2.59 2.70 0.00 0.00 7.14 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 6.11 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.12 4.40 0.00 3.90 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 *49 R 8.56 3.65 0.00 0.86 1.71 0.00 2.64 0.00 0.00 2.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.46 0.00 50 A 7.27 4.22 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 *52 T 7.53 4.26 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 1.26 0.00 0.00 53 R 7.56 2.51 0.00 0.67 1.39 0.00 2.87 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.76 0.00 54 E 7.75 3.84 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 55 Q 7.89 3.98 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 56 A 7.64 3.87 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.20 0.00 134 L 8.19 4.43 0.00 1.94 1.84 0.92 0.77 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 V 7.63 3.72 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 0.83 0.00 0.00 1.03 0.00 0.00 136 F 7.94 4.12 0.00 3.11 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 0.00 137 Y 8.54 4.06 0.00 2.62 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 0.00 138 T 6.68 4.49 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 1.25 0.00 0.00 139 K 6.85 4.23 0.00 1.71 1.72 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.30 7.81 *141 G 8.64 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 0.00 142 T 7.57 4.26 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 1.06 0.00 0.00 143 F 7.28 3.79 0.00 3.20 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 T 6.42 4.52 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 1.17 0.00 0.00 145 S 8.34 4.04 0.00 3.75 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 0.00 146 F 7.12 4.25 0.00 2.79 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 0.00 147 G 8.18 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 0.00 0.00 0.00 0.00 148 K 8.06 4.41 0.00 1.86 1.99 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.69 1.74 7.81 149 G 8.26 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 0.00 0.00 0.00 150 W 8.28 3.95 0.00 3.27 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 0.00 151 V 8.11 3.76 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.52 0.00 0.00 152 R 7.97 3.84 0.00 1.97 2.05 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 153 R 7.53 4.06 0.00 1.78 1.94 0.00 3.06 0.00 0.00 3.07 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.31 0.00 154 V 7.16 3.28 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 0.65 0.00 0.00 -0.43 0.00 0.00 155 A 8.10 3.98 1.36 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 0.00 0.00 0.00 156 Q 8.12 3.92 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 157 N 7.82 4.33 0.00 2.91 3.03 0.00 0.00 6.67 6.89 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 0.00 158 L 7.59 3.94 0.00 1.75 1.82 0.96 0.95 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 0.00 159 I 8.01 3.84 2.02 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 1.41 0.78 0.92 0.00 0.00 160 H 8.53 4.07 0.00 3.32 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.11 4.25 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 S 7.90 4.37 0.00 4.06 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 0.00 163 A 7.35 4.82 1.25 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 0.00 164 D 8.30 4.82 0.00 2.77 2.67 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 0.00 0.00 0.00 0.00 165 N 8.47 4.54 0.00 2.67 2.70 0.00 0.00 6.86 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.