NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.0879 8.2729 120.1073 56.0677 33.2345 177.2783 3 I 3.6339 8.4393 121.9726 60.0040 35.7547 170.7546 4 Y 4.6862 6.8691 115.6775 56.2805 38.8083 175.2911 5 T 3.9938 8.5021 115.8575 61.8259 69.8525 176.3729 6 K 4.2554 8.3651 119.2994 56.6446 30.1492 176.9873 7 N 4.4740 8.0805 116.2850 55.0824 38.6389 175.6380 8 G 4.5306 7.8104 105.9117 44.9386 0.0000 174.9729 9 D 4.5286 7.9383 119.2419 56.6033 40.8743 177.2595 10 K 4.3333 8.1342 116.8479 56.0651 32.4372 177.0820 11 G 4.0245 8.8845 108.2268 45.3454 0.0000 173.0554 12 Q 5.0566 7.5476 117.4553 54.4700 32.5176 174.2175 13 T 4.7783 8.3718 114.0115 61.2673 71.3280 172.7161 14 R 4.8422 8.5092 124.7294 55.5014 31.6847 176.2995 15 I 4.4962 7.4353 116.0153 58.8832 40.1794 174.6620 16 I 3.5213 7.6187 121.7455 63.1593 36.3722 174.8182 17 G 3.9298 8.1380 120.0396 45.2343 0.0000 172.9491 *19 Q 3.9954 7.9492 127.5603 55.2222 30.8719 173.8001 20 I 4.4050 8.1714 127.3988 60.2956 38.1762 175.4714 21 L 4.7941 8.6083 127.0542 52.6216 45.4214 175.7623 22 Y 4.4913 8.2867 117.9928 57.9429 38.5676 177.6744 23 K 3.9142 8.8868 124.7379 59.7607 32.5746 177.8399 *24 N 4.7201 8.0064 117.4442 51.6142 39.5272 179.9635 25 D 4.5006 8.0698 119.2913 54.2470 42.7471 175.7285 26 P 4.2764 0.0000 0.0000 66.3987 30.9061 178.3018 27 R 3.8252 8.4084 118.5947 58.9504 30.0751 178.1791 28 V 3.5477 7.8585 117.1491 66.2265 31.4665 177.7052 29 A 3.9514 8.1177 119.7880 55.1959 18.3372 179.2800 30 A 3.8774 7.9050 119.0109 55.7051 18.5079 179.2070 *31 Y 3.9796 8.0440 117.9109 60.5355 38.4833 178.6208 32 G 3.5808 8.6512 106.9724 48.0025 0.0000 175.6012 33 E 4.0192 8.7079 121.9739 58.9542 29.3497 179.6818 34 V 3.7278 7.7736 118.0060 65.7698 31.5056 177.5938 35 D 4.3436 8.1447 117.9647 57.3170 41.0580 177.8394 36 E 3.9716 8.3233 119.7727 59.2297 29.6462 178.3441 37 L 4.0519 8.4400 120.7740 58.3379 42.1187 178.4834 38 N 4.4568 8.5480 117.0111 57.0266 38.9193 177.0887 39 S 4.2398 8.4601 116.6205 61.1502 62.7779 176.5074 40 W 4.1543 8.6013 131.5057 60.4122 30.5621 178.0889 41 V 3.6768 8.5408 118.8722 66.0533 31.0645 178.1986 42 G 3.6259 8.3103 105.3975 47.9509 0.0000 175.0060 43 Y 3.8103 7.6702 120.9727 60.6699 39.1309 177.9928 44 T 3.5907 7.5531 116.9351 66.2598 68.5401 176.5935 45 K 3.9902 7.7355 121.7279 59.2043 32.0483 178.8853 46 S 4.1632 7.5405 112.7925 60.4200 62.9815 175.0408 47 L 4.0615 7.0549 120.8083 55.5852 41.9208 177.2809 48 I 3.6837 7.1166 120.1298 61.7906 37.7257 174.9735 49 N 5.3164 8.2155 123.4989 51.2533 39.5083 174.8862 50 S 4.1846 8.6548 110.9532 61.5344 63.3959 174.7027 51 H 4.4695 8.6502 117.9133 57.2430 29.0891 175.9576 52 T 4.6030 7.7528 108.2666 61.0292 69.6379 175.6525 53 Q 4.0407 8.0932 125.6512 59.5132 29.2328 178.6105 54 V 3.8273 7.8322 110.1016 63.8227 31.7934 176.8011 55 L 4.4577 7.8511 118.4240 55.9410 42.3875 178.8703 56 S 4.1218 8.1711 113.6440 61.4530 62.2179 175.7119 57 N 4.3833 8.2179 118.7947 56.3637 38.3710 177.0607 58 E 4.3832 8.3986 118.5423 59.6631 29.6953 178.8950 59 L 4.2236 8.1889 122.1458 58.2841 41.5699 179.9579 60 E 4.0734 8.3310 118.2364 61.0215 29.5846 180.7364 61 E 4.1202 8.6512 120.5318 59.3053 29.6469 178.9818 62 I 3.9394 8.2412 120.0154 64.6387 37.2989 178.2266 63 Q 4.1430 8.2884 118.8514 59.2479 28.5634 179.3153 64 Q 4.0242 7.9335 118.8575 59.0707 28.8378 178.5596 65 L 4.0178 8.1081 120.0143 58.0676 41.6479 179.7140 66 L 4.1375 8.5254 119.0667 57.2641 41.4709 179.2547 67 F 4.0029 8.2234 120.4831 61.3918 39.3946 176.7394 68 D 4.4118 8.0599 118.0343 57.6654 40.6442 178.7029 69 C 3.8508 7.8011 117.0491 62.7810 28.1329 176.5346 70 G 3.5027 8.0359 107.1842 47.6940 0.0000 175.0994 71 H 3.9370 7.9745 119.9253 59.4659 30.2329 176.8874 72 D 4.6581 8.1716 120.5103 57.3244 40.3749 178.8031 73 L 4.0214 7.7789 118.6691 57.3918 42.0131 177.9385 74 A 4.2291 7.9605 119.6631 52.7309 18.6109 176.3622 75 T 4.7047 7.4548 114.0172 60.8153 70.3022 172.8207 76 P 4.3887 0.0000 0.0000 62.3887 31.9731 177.6299 77 A 3.6971 8.6407 124.9578 54.4080 18.5537 177.9490 78 D 4.5790 7.8034 113.1091 52.9935 40.0180 175.8864 79 D 4.3234 7.7589 122.9400 55.0020 41.2495 176.4698 *80 E 4.1611 8.8052 123.7138 58.7831 30.0014 174.6737 81 R 4.2354 7.9455 116.3136 57.4348 30.7815 176.2160 82 H 5.0033 8.2189 114.1687 53.7757 31.9531 172.8571 83 S 4.5264 8.3930 116.4610 55.8868 65.4409 173.5689 84 F 4.8526 8.7696 127.8985 58.9040 38.9673 175.9512 85 K 4.5089 9.5925 126.0488 54.1669 33.2913 172.8073 86 F 4.7224 9.0044 120.6789 57.3267 40.1979 174.8435 87 K 4.5096 7.5179 127.2023 54.2094 34.2735 176.4093 88 Q 3.7243 9.0274 125.2734 59.1168 28.8694 178.6500 89 E 3.9489 7.7849 118.6347 61.1786 29.6591 183.7674 90 Q 4.1692 7.7601 117.6722 58.4281 29.0328 177.2134 91 P 4.3302 0.0000 0.0000 66.0854 31.4272 178.9036 92 T 4.2061 8.5509 114.9448 66.6200 68.4025 176.9413 93 V 3.8122 8.1752 120.5087 65.9571 31.3782 177.9266 94 W 4.2021 8.3970 128.0231 60.4553 30.5261 178.0264 95 L 3.5928 8.2433 119.1116 57.5240 40.9972 179.2843 96 E 3.9736 8.2743 119.0243 58.9963 29.2612 179.1919 97 E 3.8262 8.2074 117.8616 59.4025 29.6963 179.2956 98 K 3.1805 7.3034 119.8505 58.7117 31.8844 179.2859 99 I 3.5936 7.6417 119.9191 64.6104 37.1941 178.2779 100 D 4.2704 7.8838 119.6126 57.1516 40.4277 178.4836 101 N 4.1512 8.0642 117.7953 56.9452 38.7879 176.7272 102 Y 4.1034 7.8319 118.5024 61.1143 37.6458 178.3010 103 T 3.9151 8.0082 116.7789 66.5820 68.6061 176.3321 104 Q 4.1079 7.7391 118.2817 58.9256 28.8092 178.3474 105 V 3.5449 7.2359 119.5856 64.9248 31.8960 176.8882 106 V 3.8979 6.4746 110.0521 59.5209 32.3967 174.3194 107 P 4.1720 0.0000 0.0000 62.9181 31.4749 176.0031 108 A 4.1837 8.6187 129.2573 51.6364 19.0218 177.2492 *111 K 4.1875 8.4186 126.1800 54.7064 33.5627 172.6221 *112 F 4.3715 8.3946 118.2493 58.6247 39.0949 175.0132 113 I 4.7580 8.4454 123.5946 59.9031 38.2299 175.2404 114 L 4.7601 9.2505 128.2544 52.4580 43.3734 174.8393 115 P 3.8693 0.0000 0.0000 61.8583 31.5937 176.3778 116 G 4.1748 8.9103 111.3496 45.0110 0.0000 170.2237 117 G 4.1078 8.0537 108.7816 44.4076 0.0000 177.7502 118 T 4.0963 9.7327 118.6001 60.8007 70.3974 174.4264 119 Q 3.9559 8.5504 122.1845 59.4552 28.9697 178.3758 120 L 3.8916 7.8888 120.4009 58.0551 42.1651 178.5810 121 A 3.9427 7.9363 120.6260 55.2848 18.2071 179.7393 122 S 4.1519 8.3293 113.5165 61.8761 62.9693 176.8687 123 A 4.5478 8.3685 123.3971 55.3617 18.1352 179.7104 124 L 4.0290 8.4127 118.0453 58.1864 41.5091 179.4129 125 H 4.3455 8.4163 116.4694 58.6363 28.6400 177.8589 126 V 3.3969 8.3382 120.3786 66.0538 31.2268 178.0529 127 A 3.9102 8.0960 120.2924 54.7990 17.8929 179.5426 128 R 4.0846 7.9034 117.7091 59.9234 30.2260 178.7101 129 T 4.0773 7.7622 108.9949 64.1636 68.9885 176.9202 130 I 3.7594 7.7366 123.0530 64.0960 37.1694 178.0072 131 T 3.9580 8.1639 117.0315 66.8672 68.3653 176.5543 132 K 3.9793 7.8420 120.0334 59.3630 32.1657 179.2342 133 R 3.8366 8.0145 118.7387 59.6105 29.9067 178.4328 134 A 4.0285 8.1858 120.4291 54.9901 18.2712 179.2923 135 E 3.8623 8.2472 117.9501 59.4817 29.7523 179.0921 136 R 3.9072 8.3791 118.5922 59.5103 30.2709 178.8719 137 Q 3.9820 8.0591 118.9511 59.1903 28.9457 178.2804 138 I 3.7696 8.0716 121.3505 64.1994 37.0583 178.5804 139 V 3.5905 8.0671 119.4378 65.6735 31.0954 177.7875 140 Q 3.9344 8.0024 118.7848 59.0801 29.1887 177.9213 141 L 4.0493 7.8381 120.8161 58.5414 42.0161 178.3387 142 M 4.2653 7.9460 118.4813 58.3442 32.1193 178.0711 143 R 4.1686 7.9453 116.2224 57.7203 30.4197 176.8878 144 E 4.6392 8.5693 116.5389 56.1299 31.5593 175.5792 145 E 4.8089 7.6671 116.4041 54.1893 33.7579 174.3398 146 Q 4.4263 8.6199 120.1001 55.7457 29.3741 175.8283 147 I 4.6027 7.9741 114.9197 58.3127 40.9221 174.7408 148 N 3.9857 7.7899 118.6838 53.5426 37.9601 175.3680 149 Q 4.0928 8.5455 126.3165 58.6432 28.7911 178.0467 150 D 4.4729 8.1115 119.9817 57.4754 40.7552 178.9466 151 V 3.6129 7.7209 118.4099 66.0904 31.5361 177.9102 152 L 3.9920 7.8320 119.4722 58.0091 42.0125 178.7384 153 I 3.7440 7.9005 119.8751 64.3655 37.0353 178.1451 154 F 4.3745 8.4438 121.3141 61.5085 39.2079 177.0727 155 I 3.4465 8.1662 119.7656 64.2524 36.5659 177.6797 156 N 4.2674 8.1679 117.7337 57.0050 38.7456 176.8720 157 R 3.8170 8.0347 119.7339 59.1820 30.0582 178.1448 158 L 3.6173 7.7849 120.8974 57.9334 41.9851 179.1403 159 S 4.4332 7.9198 114.4244 61.4255 62.8743 176.3255 160 D 4.3548 7.7097 122.3745 57.3028 40.5332 177.6161 161 Y 4.0206 8.0279 120.1746 60.9740 38.6602 178.3627 162 F 4.3391 8.1982 118.2210 60.6063 39.2022 177.0850 163 F 3.9787 8.4177 119.9327 61.4595 39.2479 176.8632 164 A 3.9391 8.2979 119.7213 55.2776 18.1450 179.2220 165 A 3.5921 8.2232 119.3428 55.2368 18.3334 179.6320 166 A 3.7856 8.2537 119.3413 55.4720 18.3859 180.1580 167 R 3.9244 7.4996 116.1509 59.4045 29.9745 178.7472 168 Y 4.0985 7.7595 118.8297 60.3619 38.8363 177.5775 169 A 3.7536 8.0623 121.9687 55.2934 18.4230 179.2525 170 N 4.3002 8.0746 114.8523 56.5488 38.5890 176.8857 171 Y 3.9663 8.0007 120.7738 60.8410 38.7299 178.3216 172 L 3.9490 7.8364 118.2810 56.4960 41.6367 177.5614 173 E 4.5030 7.2286 116.7813 56.0603 30.5032 175.6982 174 Q 3.2011 7.6359 113.8581 57.3630 26.8453 174.3445 175 Q 4.5037 8.0431 117.0066 53.3802 31.5608 173.0578 176 P 4.4623 0.0000 0.0000 62.0804 32.1457 176.1194 177 D 4.4286 8.6014 124.2776 55.2140 41.5088 176.6871 178 M 4.3576 8.5907 122.8861 55.1785 32.4525 174.7059 179 L 5.1616 8.3600 124.0577 51.6731 44.4401 175.7849 180 Y 4.1470 9.1240 127.8424 58.4206 39.2838 176.9807 181 R 3.9563 8.0289 124.1222 56.3941 29.5720 172.6698 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 K 8.27 4.09 0.00 1.28 0.74 0.00 1.09 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.21 7.81 3 I 8.44 3.63 1.87 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 1.47 0.53 0.91 0.00 0.00 4 Y 6.87 4.69 0.00 3.05 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 5 T 8.50 3.99 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 1.20 0.00 0.00 6 K 8.37 4.26 0.00 2.07 2.16 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.57 1.59 7.81 7 N 8.08 4.47 0.00 2.74 2.88 0.00 0.00 6.74 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.81 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.94 4.53 0.00 2.70 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 10 K 8.13 4.33 0.00 2.01 1.86 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 0.99 7.81 11 G 8.88 4.02 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 0.00 12 Q 7.55 5.06 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 1.56 2.03 0.00 13 T 8.37 4.78 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 14 R 8.51 4.84 0.00 1.98 1.81 0.00 3.34 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.19 0.00 15 I 7.44 4.50 2.03 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 1.47 0.60 0.90 0.00 0.00 16 I 7.62 3.52 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 0.64 0.00 0.00 17 G 8.14 3.93 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 0.00 0.00 0.00 *19 Q 7.95 4.00 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 20 I 8.17 4.41 1.78 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 1.34 0.70 0.82 0.00 0.00 21 L 8.61 4.79 0.00 1.54 1.55 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.29 4.49 0.00 2.99 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.89 3.91 0.00 1.84 1.92 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.57 7.81 *24 N 8.01 4.72 0.00 2.49 2.64 0.00 0.00 6.60 8.06 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 25 D 8.07 4.50 0.00 2.96 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 26 P 0.00 4.28 0.00 2.31 2.33 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 27 R 8.41 3.83 0.00 1.94 1.94 0.00 3.13 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 28 V 7.86 3.55 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 0.83 0.00 0.00 0.94 0.00 0.00 29 A 8.12 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.91 3.88 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 *31 Y 8.04 3.98 0.00 2.46 2.28 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 32 G 8.65 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.71 4.02 0.00 1.94 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 0.00 2.56 2.46 0.00 34 V 7.77 3.73 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.98 0.00 0.00 35 D 8.14 4.34 0.00 2.99 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 36 E 8.32 3.97 0.00 2.12 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 0.00 2.34 2.37 0.00 37 L 8.44 4.05 0.00 1.82 1.97 1.13 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.55 4.46 0.00 3.09 3.04 0.00 0.00 7.27 8.08 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 39 S 8.46 4.24 0.00 4.14 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 0.00 40 W 8.60 4.15 0.00 3.46 3.27 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 41 V 8.54 3.68 2.37 0.00 0.00 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 1.24 0.00 0.00 42 G 8.31 3.63 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 0.00 0.00 0.00 43 Y 7.67 3.81 0.00 2.70 2.35 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 44 T 7.55 3.59 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 45 K 7.74 3.99 0.00 2.00 1.94 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.47 7.81 46 S 7.54 4.16 0.00 3.95 3.93 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 47 L 7.05 4.06 0.00 1.64 1.61 0.68 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 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0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.42 4.35 0.00 3.41 3.35 0.00 5.63 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 0.00 126 V 8.34 3.40 2.28 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 -0.37 0.00 0.00 0.93 0.00 0.00 127 A 8.10 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 7.90 4.08 0.00 2.25 2.24 0.00 3.37 0.00 0.00 3.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.08 0.00 129 T 7.76 4.08 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 1.24 0.00 0.00 130 I 7.74 3.76 1.74 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.39 0.89 0.00 0.00 131 T 8.16 3.96 4.59 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 1.35 0.00 0.00 132 K 7.84 3.98 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 133 R 8.01 3.84 0.00 1.86 2.07 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 134 A 8.19 4.03 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 0.00 135 E 8.25 3.86 0.00 2.19 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 0.00 2.31 2.35 0.00 136 R 8.38 3.91 0.00 2.02 1.97 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 137 Q 8.06 3.98 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 138 I 8.07 3.77 2.00 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 1.40 0.65 0.91 0.00 0.00 139 V 8.07 3.59 2.21 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 1.00 0.00 0.00 0.96 0.00 0.00 140 Q 8.00 3.93 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 141 L 7.84 4.05 0.00 1.85 1.82 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.95 4.27 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 143 R 7.95 4.17 0.00 2.03 1.98 0.00 3.16 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 144 E 8.57 4.64 0.00 1.87 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 2.24 2.24 0.00 145 E 7.67 4.81 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 146 Q 8.62 4.43 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.36 1.91 0.00 147 I 7.97 4.60 1.82 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 1.31 0.67 0.93 0.00 0.00 148 N 7.79 3.99 0.00 1.44 2.28 0.00 0.00 6.88 6.73 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 0.00 149 Q 8.55 4.09 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.62 0.00 0.00 0.00 0.00 0.00 2.63 2.42 0.00 150 D 8.11 4.47 0.00 3.11 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 0.00 151 V 7.72 3.61 2.17 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 1.00 0.00 0.00 0.85 0.00 0.00 152 L 7.83 3.99 0.00 1.81 1.88 0.98 1.14 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 0.00 153 I 7.90 3.74 2.13 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 1.45 0.81 1.00 0.00 0.00 154 F 8.44 4.37 0.00 3.50 3.44 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 0.00 155 I 8.17 3.45 1.88 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 1.65 0.86 0.91 0.00 0.00 156 N 8.17 4.27 0.00 3.05 3.03 0.00 0.00 6.89 6.94 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 0.00 157 R 8.03 3.82 0.00 2.10 1.96 0.00 3.20 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 158 L 7.78 3.62 0.00 1.11 1.58 0.38 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 159 S 7.92 4.43 0.00 4.22 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 0.00 160 D 7.71 4.35 0.00 2.90 2.78 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 0.00 161 Y 8.03 4.02 0.00 2.88 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 0.00 162 F 8.20 4.34 0.00 3.41 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 0.00 163 F 8.42 3.98 0.00 3.22 3.30 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 0.00 164 A 8.30 3.94 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 0.00 165 A 8.22 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.25 3.79 1.04 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 0.00 167 R 7.50 3.92 0.00 1.89 1.89 0.00 2.87 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.04 0.00 168 Y 7.76 4.10 0.00 2.51 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 A 8.06 3.75 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.07 4.30 0.00 2.90 3.12 0.00 0.00 6.71 6.79 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 0.00 171 Y 8.00 3.97 0.00 3.04 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 0.00 172 L 7.84 3.95 0.00 1.53 1.68 0.51 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 173 E 7.23 4.50 0.00 1.88 1.79 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 2.12 2.13 0.00 174 Q 7.64 3.20 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 175 Q 8.04 4.50 0.00 1.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 176 P 0.00 4.46 0.00 2.08 1.97 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 177 D 8.60 4.43 0.00 2.69 2.62 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 0.00 178 M 8.59 4.36 0.00 1.71 1.96 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.14 0.00 179 L 8.36 5.16 0.00 1.52 1.64 0.95 0.95 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 0.00 180 Y 9.12 4.15 0.00 2.92 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 0.00 181 R 8.03 3.96 0.00 1.87 1.68 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.