NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3073 8.3545 119.0729 57.0485 31.0394 175.0465 *4 Y 4.3335 8.0338 110.5928 57.8338 40.5184 168.0690 5 G 3.8621 8.2486 110.0069 46.1099 0.0000 172.2939 6 A 4.3375 7.7302 124.2382 52.5806 21.7358 178.3063 7 T 3.6845 8.7246 110.8796 63.2291 68.8344 168.9569 8 S 4.0675 9.6356 122.2962 60.0400 59.7189 174.3982 9 T 4.6713 7.4144 118.8978 60.1775 70.9156 173.4937 10 N 4.6680 8.1058 129.4884 53.5406 40.6616 176.7512 11 P 4.6714 0.0000 0.0000 61.0135 31.2179 180.3852 12 A 4.9677 9.6625 135.0000 52.0537 22.0363 176.4345 13 K 3.5469 7.8583 124.6696 57.5309 28.3713 177.6368 14 S 5.0593 8.1875 121.6695 56.0378 65.7770 170.8120 15 A 4.7883 9.1748 120.3288 52.6926 22.4319 176.3802 16 S 5.0550 8.1956 117.7084 57.7767 66.7830 172.0771 17 A 4.2730 8.5273 119.7569 54.6340 22.1357 176.3700 18 R 4.9393 8.2805 118.7364 55.9239 33.7532 175.1973 19 G 4.1577 8.9893 104.3471 46.2792 0.0000 174.5201 20 S 4.9451 8.8945 125.7072 57.9549 64.8945 174.8197 *21 Y 4.3369 8.2661 115.2924 58.5212 35.2120 175.4416 22 L 4.0631 7.7581 125.8190 55.6285 41.6809 179.7822 23 R 4.6590 8.4567 126.8630 54.6455 28.2681 173.7531 24 V 4.3339 7.5267 126.1870 60.2910 34.4175 177.3606 25 S 4.3522 9.0931 114.6769 61.4829 64.0619 176.0804 *26 F 3.3459 8.6284 118.2310 58.9599 38.1236 183.4407 27 K 3.9701 9.3512 128.5853 58.2981 32.7988 180.4206 28 N 4.7555 10.7255 115.5031 55.5587 38.8921 182.9606 29 T 4.0499 7.9807 113.5634 63.6780 70.3134 178.7525 30 R 4.3289 8.9028 123.6914 60.9642 28.7034 185.0000 31 E 4.1477 9.1775 118.2601 62.9084 31.1746 180.8429 32 T 4.0973 8.2556 115.0448 66.0568 68.2286 177.8936 33 A 3.8758 8.8657 119.7331 57.2607 18.3551 179.7194 34 Q 4.4534 7.0081 119.7268 56.0253 29.2843 179.5750 35 A 4.7947 9.2303 125.6002 55.4316 20.7038 179.2434 36 I 3.8016 7.6851 115.9745 62.9637 35.8931 179.2285 37 N 4.3081 8.0585 116.3527 54.3691 37.5587 178.7136 38 G 4.1773 9.4151 114.9330 44.8861 0.0000 173.4564 *39 W 4.9936 7.6023 120.5882 54.2378 32.6850 178.2939 40 E 4.2011 8.6633 115.3126 57.3145 29.7179 177.8143 41 L 3.6204 8.5613 130.2382 60.0960 40.7855 176.2008 42 T 4.4742 8.1520 115.7797 65.6421 68.3495 181.9998 43 K 4.0879 8.0696 124.1860 60.7462 31.9989 180.0659 44 A 4.2987 9.2390 125.0873 54.9340 17.9142 179.8069 45 Q 4.0688 8.3344 124.3959 60.8809 28.6790 182.1442 46 K 4.3436 8.2554 126.0902 60.7503 31.6851 183.7408 *47 Y 4.3088 8.5848 123.5828 62.6467 36.7849 181.7660 48 L 4.5017 7.7641 121.4110 57.9479 41.1201 180.0487 49 E 4.8152 8.6826 118.7627 57.8735 32.6769 183.3572 50 Q 3.9215 8.9035 118.9683 59.0876 28.2029 181.9242 51 V 4.6403 7.5428 120.7513 62.2162 29.7751 177.3387 52 L 5.1482 8.5598 134.4619 54.4369 38.8129 173.8231 53 D 4.4452 7.9369 122.8018 55.5461 40.2214 179.3996 *54 H 4.1194 10.0956 114.8126 56.8740 24.9112 178.6130 55 Q 4.7040 8.9973 115.6721 53.3386 30.2054 176.9816 56 R 4.8369 7.1092 117.5847 55.8416 30.9970 175.5780 57 A 5.1814 7.8553 125.6613 49.8463 23.2778 176.2136 58 I 3.6146 8.5159 120.6187 61.7227 36.3895 173.0016 59 P 4.8481 0.0000 0.0000 61.1540 30.6419 172.5653 *60 F 4.3221 8.6053 127.3419 56.1442 38.4367 174.1744 61 R 4.6378 8.7415 125.1022 55.2171 31.7177 172.2041 62 R 4.5424 7.7698 112.6934 59.0411 32.7027 183.8601 *63 F 4.5298 7.8754 120.2685 57.1909 37.2024 179.6216 64 N 5.0311 7.8714 121.2435 50.9867 38.4772 175.2903 65 S 4.6951 8.2315 120.4281 57.7938 66.3415 173.5494 66 S 4.7645 9.2322 123.5670 57.9837 60.5743 168.2412 67 I 3.8902 7.4954 118.2709 59.7125 35.4983 177.1743 68 G 4.1057 8.2156 115.9257 44.0761 0.0000 173.0219 69 R 3.5043 7.3271 116.8511 57.4380 29.4991 173.2569 70 T 4.0176 8.6431 110.5297 63.5609 70.4547 173.4001 71 A 3.6220 8.2601 124.4595 55.2444 15.0670 178.3150 72 Q 4.5919 7.7176 121.3415 55.6562 30.0971 171.8468 73 G 4.0263 8.5253 112.3275 46.0992 0.0000 173.7212 74 K 4.2122 7.2022 124.8204 52.5586 28.9912 179.2832 75 E 4.7232 7.7641 119.4242 55.0405 30.6677 176.9685 *76 F 4.7065 7.7797 111.8619 58.0316 41.2771 170.3456 77 G 3.8511 8.8268 111.7225 47.4856 0.0000 176.4710 78 V 3.2990 8.2973 116.7230 58.1640 33.1033 180.6537 79 T 3.3471 8.5607 110.9695 62.4869 68.0169 177.2551 80 K 4.5978 8.7441 114.4390 53.7535 34.4610 177.1531 81 A 4.5344 7.5293 123.0257 53.6583 23.0114 177.9951 82 R 4.5154 10.4756 120.3503 56.4706 29.5771 175.0471 *83 W 4.3094 10.2471 131.7192 60.4483 31.0235 179.5797 84 P 3.8501 0.0000 0.0000 65.6895 32.8433 179.4542 85 A 3.9200 6.9228 123.5892 53.8393 17.1208 181.3929 86 K 4.4902 8.6888 127.0649 63.4297 31.8429 177.3419 87 S 4.2514 8.7604 120.6773 64.0210 61.8430 179.0853 88 V 3.8337 7.8807 122.6397 66.7769 31.8587 181.2313 89 K 4.1977 8.2595 126.5584 60.6078 31.6192 181.9439 *90 F 4.3977 8.4314 124.5373 62.1335 38.0142 180.6830 91 V 3.9551 8.2007 122.6265 66.6080 31.2328 181.2025 92 Q 4.3248 8.2603 121.0286 60.5716 27.9112 180.8323 93 G 3.9834 8.1012 109.8443 48.6598 0.0000 175.9594 94 L 4.1202 8.2494 128.3020 59.3273 41.1955 182.2735 95 L 4.4150 8.0181 124.3353 60.3668 40.8700 182.9472 96 Q 4.3196 8.4502 124.9144 60.8795 27.8306 180.8176 97 N 4.8080 7.9596 117.7469 56.0631 37.8696 178.0874 98 A 4.3658 8.7572 123.1829 53.8092 18.4645 179.5723 99 A 3.8587 7.7150 116.3978 54.6697 18.8417 179.3468 100 A 4.0477 8.5158 121.9064 56.1313 18.1978 180.3269 101 N 4.8530 7.8704 114.5435 54.9437 38.1172 177.6467 102 A 4.6963 8.3518 127.4521 54.8914 21.9364 179.4013 103 E 4.0496 8.3441 111.1718 59.0865 30.0648 180.6159 104 A 3.9697 7.2675 121.2172 56.0459 18.8654 179.9552 105 K 4.3611 8.0066 117.9908 54.4196 29.1830 176.1982 106 G 5.0660 7.5832 116.6495 45.1856 0.0000 170.9565 107 L 4.7202 8.5797 127.8149 53.0556 44.1837 178.1961 108 D 4.6901 8.6928 112.3755 53.9227 40.0684 179.8961 109 A 3.4540 8.6863 124.0239 55.1865 19.6033 177.9220 110 T 4.5839 8.4502 111.8289 58.7046 68.5010 175.1203 111 K 4.2277 8.2272 135.0000 56.4058 37.6494 176.8015 112 L 4.8128 7.2792 127.6088 54.4703 39.4897 177.8271 *113 Y 4.3884 8.7504 131.2168 57.8864 35.1789 176.0065 114 V 3.3263 6.3599 124.9154 59.4020 29.4751 177.2442 115 S 4.6845 8.2834 123.3598 58.5609 64.6945 173.6670 *116 H 4.4267 8.1565 118.8508 55.8663 31.3159 176.0158 117 I 4.2247 8.7929 124.7930 58.1463 38.1874 174.0791 118 Q 2.8763 7.5549 120.2983 56.0664 25.1944 176.6904 119 V 4.5939 8.2218 129.0515 59.5328 33.5852 172.4027 120 N 5.1805 8.8710 125.6615 50.6322 41.9144 173.0149 121 Q 4.1951 8.6126 118.3807 58.0653 29.0233 176.1175 122 A 4.5936 8.9377 120.0801 54.2790 18.6679 175.4498 123 P 4.9161 0.0000 0.0000 60.9268 37.9184 178.0501 124 K 5.0664 8.1272 118.0048 55.8666 31.6961 181.9621 125 Q 4.5837 7.9109 116.2445 55.7347 27.1201 179.4470 126 R 5.0571 8.0412 126.6732 58.4955 31.1511 173.0245 127 R 4.3801 8.3005 123.4283 56.4007 32.4278 174.4937 128 R 4.2660 8.2113 118.4379 56.5363 29.2043 178.5803 129 T 4.9334 8.4237 111.7698 61.5769 71.3678 175.2148 *130 Y 4.6621 8.4331 112.9058 57.9488 36.7637 170.7589 131 R 4.6616 7.0221 120.4565 54.5245 34.4527 173.0602 132 A 3.8272 8.7341 126.9331 53.4312 18.5248 179.1718 *133 H 4.4266 8.4345 118.1451 53.6176 25.6113 172.9494 134 G 4.3334 8.6659 118.1945 46.2032 0.0000 173.0031 135 R 3.9682 7.7205 118.6074 56.5839 29.8060 178.5260 136 I 4.3756 8.1790 117.6023 59.5682 37.0899 176.6568 137 N 4.9860 8.5214 127.9592 51.6487 39.8872 171.7291 138 K 4.8850 8.5669 123.7998 55.5145 33.9677 176.8711 *139 Y 4.7383 8.6980 125.9070 55.7536 40.2647 173.9423 140 E 4.9547 8.8144 124.0531 54.3165 34.3024 172.8575 141 S 4.3348 8.7643 124.2354 58.1101 63.2550 173.8038 142 S 5.0770 8.7436 128.4592 57.5429 59.0266 169.3809 143 P 3.9776 0.0000 0.0000 64.1793 31.2061 175.3892 144 S 4.2513 9.7224 115.7484 56.3072 65.0807 172.5034 *145 H 4.3736 8.2199 130.9723 54.5921 25.1736 176.4766 146 I 5.0949 7.7066 127.0696 58.8504 40.2502 173.1040 147 E 5.0291 8.5267 120.2195 57.2526 33.9099 175.4079 148 L 5.5344 9.1970 129.2186 52.1807 44.7457 173.8447 149 V 4.8612 8.1787 123.7151 59.5052 33.4283 172.5630 150 V 4.1174 8.6027 128.6570 62.0407 32.5708 175.9765 151 T 4.6384 8.3656 121.6185 60.0260 72.2655 170.8596 152 E 4.6909 8.6052 118.5630 57.7462 31.0633 171.7397 153 K 4.6283 8.0856 118.7700 56.0582 35.9449 169.0469 154 E 3.7062 9.6210 124.5030 57.6158 29.5273 176.7196 155 E 4.0311 9.1258 116.6565 54.4682 28.0687 172.7995 156 A 4.1633 7.5971 125.0304 54.1437 19.1663 176.2944 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 3 R 8.35 4.31 0.00 1.85 1.83 0.00 3.27 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 *4 Y 8.03 4.33 0.00 2.34 2.12 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 5 G 8.25 3.86 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 0.00 6 A 7.73 4.34 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.72 3.68 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 8 S 9.64 4.07 0.00 3.78 4.06 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 9 T 7.41 4.67 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 10 N 8.11 4.67 0.00 2.70 2.70 0.00 0.00 6.72 7.75 0.00 0.00 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 4.67 0.00 2.08 1.88 0.00 3.82 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 1.91 1.58 0.00 12 A 9.66 4.97 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 13 K 7.86 3.55 0.00 1.91 1.71 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 0.98 7.81 14 S 8.19 5.06 0.00 3.33 3.67 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 15 A 9.17 4.79 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 16 S 8.20 5.05 0.00 3.35 3.64 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 17 A 8.53 4.27 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 18 R 8.28 4.94 0.00 1.55 1.69 0.00 3.22 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.00 19 G 8.99 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.89 4.95 0.00 3.43 3.56 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 0.00 0.00 0.00 0.00 *21 Y 8.27 4.34 0.00 2.33 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 0.00 0.00 0.00 0.00 22 L 7.76 4.06 0.00 1.56 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.46 4.66 0.00 1.82 1.78 0.00 3.18 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 24 V 7.53 4.33 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 0.72 0.00 0.00 0.93 0.00 0.00 25 S 9.09 4.35 0.00 3.65 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 *26 F 8.63 3.35 0.00 2.28 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 0.00 0.00 0.00 0.00 27 K 9.35 3.97 0.00 1.76 1.79 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.03 7.81 28 N 10.73 4.76 0.00 2.64 2.82 0.00 0.00 6.92 7.10 0.00 0.00 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 7.98 4.05 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 30 R 8.90 4.33 0.00 1.84 1.69 0.00 3.27 0.00 0.00 3.20 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 31 E 9.18 4.15 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.00 0.00 32 T 8.26 4.10 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 33 A 8.87 3.88 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.01 4.45 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 35 A 9.23 4.79 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 36 I 7.69 3.80 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 1.16 0.73 0.91 0.00 0.00 37 N 8.06 4.31 0.00 2.73 2.67 0.00 0.00 6.93 7.51 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 38 G 9.42 4.18 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 0.00 *39 W 7.60 4.99 0.00 2.46 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 0.00 0.00 0.00 40 E 8.66 4.20 0.00 1.89 1.87 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 2.31 1.87 0.00 41 L 8.56 3.62 0.00 1.68 1.73 0.92 0.49 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 42 T 8.15 4.47 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 43 K 8.07 4.09 0.00 1.75 1.88 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.10 7.81 44 A 9.24 4.30 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 45 Q 8.33 4.07 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 46 K 8.26 4.34 0.00 1.77 1.78 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.33 7.81 *47 Y 8.58 4.31 0.00 2.30 2.34 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 48 L 7.76 4.50 0.00 1.76 1.59 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.68 4.82 0.00 1.79 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 2.12 2.08 0.00 50 Q 8.90 3.92 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 51 V 7.54 4.64 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 1.20 0.00 0.00 0.93 0.00 0.00 52 L 8.56 5.15 0.00 1.76 1.68 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.94 4.45 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 H 10.10 4.12 0.00 3.12 3.12 0.00 7.11 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 9.00 4.70 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.11 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 56 R 7.11 4.84 0.00 1.83 1.97 0.00 3.16 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.00 57 A 7.86 5.18 1.17 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 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.50 3.89 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 1.35 1.10 0.91 0.00 0.00 68 G 8.22 4.11 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 0.00 0.00 0.00 69 R 7.33 3.50 0.00 1.90 1.90 0.00 3.20 0.00 0.00 3.92 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 70 T 8.64 4.02 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 71 A 8.26 3.62 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 72 Q 7.72 4.59 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.02 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 73 G 8.53 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 74 K 7.20 4.21 0.00 1.73 1.66 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 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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 H 8.43 4.43 0.00 2.94 2.92 0.00 7.17 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.67 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 0.00 0.00 0.00 0.00 135 R 7.72 3.97 0.00 1.84 1.75 0.00 3.21 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 136 I 8.18 4.38 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 1.27 1.25 0.91 0.00 0.00 137 N 8.52 4.99 0.00 2.40 2.71 0.00 0.00 6.85 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 0.00 138 K 8.57 4.88 0.00 1.53 1.61 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.29 1.00 7.81 *139 Y 8.70 4.74 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.81 4.95 0.00 1.68 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 2.11 1.85 0.00 141 S 8.76 4.33 0.00 3.42 3.81 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 0.00 0.00 0.00 142 S 8.74 5.08 0.00 3.39 3.73 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 0.00 143 P 0.00 3.98 0.00 1.84 1.91 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 144 S 9.72 4.25 0.00 3.52 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 *145 H 8.22 4.37 0.00 3.00 3.12 0.00 7.16 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.71 5.09 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 1.09 0.68 0.91 0.00 0.00 147 E 8.53 5.03 0.00 1.66 1.70 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 2.17 2.13 0.00 148 L 9.20 5.53 0.00 1.27 1.50 0.92 1.11 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 0.00 149 V 8.18 4.86 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 0.69 0.00 0.00 0.93 0.00 0.00 150 V 8.60 4.12 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 0.61 0.00 0.00 0.93 0.00 0.00 151 T 8.37 4.64 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 0.00 152 E 8.61 4.69 0.00 1.98 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 2.18 1.86 0.00 153 K 8.09 4.63 0.00 1.70 1.53 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.99 7.81 154 E 9.62 3.71 0.00 2.14 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 2.13 1.85 0.00 155 E 9.13 4.03 0.00 2.17 2.06 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 2.09 1.86 0.00 156 A 7.60 4.16 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.