NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.2533 8.4444 116.7416 55.8956 31.3325 174.8378 11 S 4.1732 8.1123 113.6980 55.7103 65.0710 173.6089 12 K 4.3015 9.4785 130.2589 55.5901 33.9442 175.1295 13 K 4.7081 8.2470 122.9119 54.9283 35.2102 174.8836 14 M 4.8220 7.9239 116.4327 53.7860 34.1950 174.4694 15 S 4.4375 8.3564 113.6954 57.8512 63.5270 174.6540 16 S 4.4518 9.1497 121.9333 62.7728 62.5099 177.0471 17 E 4.0200 8.0471 119.4468 59.2442 29.3629 179.0852 18 L 4.0332 8.0684 119.6336 58.3344 42.3761 178.9231 19 F 4.2735 8.3351 119.9079 61.8201 39.4137 176.8651 20 T 3.6451 8.3117 112.8633 64.6844 67.0680 175.9933 21 L 3.7643 8.2184 122.7080 58.4450 42.2315 179.0456 22 T 3.8209 8.4507 116.1012 66.9343 68.1386 176.0333 23 Y 3.9458 7.9716 121.3920 60.4406 38.6796 178.3576 24 G 3.6072 8.0068 106.6348 46.5563 0.0000 175.7460 25 A 3.9236 7.7278 123.1521 54.8446 18.4253 179.2973 26 L 3.7325 7.5040 118.7780 58.3835 42.0169 179.3216 27 V 3.2835 6.9722 117.9215 66.3031 31.0902 178.1299 28 T 3.8752 7.6258 114.3514 66.5510 68.4208 176.4511 29 Q 4.1383 8.0490 120.0789 58.8091 28.7315 178.4586 30 L 4.2661 8.3627 120.3132 57.9193 41.3837 179.0618 31 C 4.3347 7.7828 115.2169 61.5495 28.0955 175.1135 32 K 4.3358 7.9320 119.5683 58.2463 32.6269 177.9539 33 D 4.5246 8.0373 116.6424 54.6839 41.0838 175.7338 34 Y 4.5920 7.4159 119.4992 56.6677 40.7048 176.1698 35 E 4.1099 9.0137 120.7404 57.1306 30.4650 172.3934 36 N 4.9352 7.9647 115.9577 52.3917 39.7441 174.3915 37 D 4.3739 8.8114 127.0522 57.7284 40.3272 178.8095 38 E 3.9520 8.2988 117.9210 58.5351 29.9287 177.9526 39 D 4.4229 8.2876 118.5698 56.0654 40.9364 178.8197 40 V 3.0243 7.4268 119.1876 65.6808 31.6191 177.2892 41 N 4.1944 7.4605 116.0112 56.1977 38.3268 177.1299 42 K 3.8227 7.5288 120.0565 59.5650 32.2376 178.5687 43 Q 3.8404 7.5794 119.1437 59.1885 28.8732 178.0760 44 L 3.9664 8.1908 120.4020 57.7785 41.5503 179.1539 45 D 4.3730 8.3707 120.4092 57.9842 41.2571 179.0109 46 R 3.9650 8.1524 121.3221 61.8557 29.4866 180.4767 47 M 4.4300 8.5738 120.2179 58.1306 31.9565 179.1785 48 G 3.6145 8.4301 106.3006 47.7943 0.0000 174.8855 49 Y 4.2103 8.7182 122.4985 60.8032 38.9349 178.0977 50 N 4.2644 8.3589 117.0770 56.4233 38.5259 177.5601 51 I 3.8397 7.7097 120.7379 64.3164 37.2653 178.4815 52 G 3.3231 8.3320 106.9688 48.0014 0.0000 175.7718 53 V 3.4433 7.3129 119.3308 65.4975 31.2436 177.8271 54 R 4.1543 7.3601 116.5820 58.1657 30.1341 178.5320 55 L 3.8310 8.5045 121.2378 58.1503 42.0788 178.5236 56 I 3.6781 7.5119 118.5997 64.5153 37.7702 177.1298 57 E 3.9376 8.1793 118.3963 59.5283 29.3948 178.3600 58 D 4.4075 7.7947 116.6546 57.8285 41.0271 178.0188 59 F 4.1836 8.5903 119.7730 61.3018 39.2090 176.3308 60 L 3.9428 8.7425 118.4375 58.1100 41.4149 179.6985 61 A 4.0587 7.8620 118.7103 54.7908 18.3382 178.6237 62 R 4.3374 7.4201 114.7347 56.8725 31.6394 176.3626 63 S 4.2676 6.9651 113.9786 59.3590 67.0037 175.4497 64 N 4.7406 8.3573 117.0094 50.9176 39.3590 169.1330 *69 H 4.7178 7.7905 112.6847 55.5206 31.1495 175.5836 70 D 4.9852 7.7677 118.6442 52.1976 43.2030 177.4301 71 F 4.4142 8.8705 120.4039 61.3107 39.3733 177.1013 72 R 3.7125 8.1567 117.6837 58.9904 29.7335 178.6171 73 E 4.0375 8.4676 118.5491 59.6056 29.4897 179.1745 74 T 3.7796 7.7172 115.1366 66.7998 68.4333 176.3237 75 A 3.5693 7.4843 121.9001 54.8376 18.1687 179.5016 76 D 4.1887 7.4733 115.9887 57.6574 40.9218 179.0280 77 V 3.7637 8.0261 118.9674 66.1248 31.3673 178.1341 78 I 3.6501 7.9128 119.2333 64.5081 36.9699 178.3314 79 A 4.0700 8.3430 121.5022 54.3625 18.0399 179.2679 80 K 4.1806 8.5259 116.1404 58.3566 33.0960 177.2613 81 V 4.1111 7.8278 116.3483 63.5448 32.5828 176.9795 82 A 4.1617 8.7138 119.9968 55.9832 18.4705 179.7875 83 F 3.9253 9.0938 115.7270 60.3938 38.8229 177.9347 84 K 4.8161 7.9861 120.2198 58.8926 31.9780 178.4175 85 M 3.9244 8.7178 118.1722 58.1422 32.1554 177.1335 86 Y 4.2494 7.7820 115.4584 59.6788 38.9545 176.5090 87 L 4.1527 7.8379 117.6404 54.4288 42.5774 176.5714 88 G 4.0942 8.2988 104.7025 47.7076 0.0000 172.8582 89 I 4.6862 7.6184 112.6419 59.3205 40.7736 174.3234 90 T 4.8084 7.9393 115.0247 60.2424 69.8513 172.2581 91 P 4.5589 0.0000 0.0000 62.5029 32.6770 175.8464 92 S 4.5878 8.5097 117.4630 57.5259 64.8318 174.0958 93 I 4.8280 8.3735 125.9221 60.3802 36.7332 174.8718 94 T 4.6486 8.3827 116.8229 59.9643 72.9336 172.6888 95 N 4.4260 8.5538 115.7036 54.0285 34.5232 173.5709 96 W 5.2801 8.1939 117.3697 55.8333 31.0996 175.9283 97 S 4.8582 8.4969 112.5958 57.4769 64.7162 174.6514 98 P 3.9904 0.0000 0.0000 64.5438 31.6506 176.4035 99 A 4.6336 7.8400 119.2444 51.5120 19.8267 175.9537 100 G 4.1431 8.8034 104.5065 49.0046 0.0000 174.2819 101 D 4.9538 9.2763 120.0128 55.3250 43.8892 178.2696 102 E 5.4344 8.3699 116.3538 54.7978 34.3883 174.7182 103 F 4.8982 8.2744 116.4702 55.1372 42.1390 172.8865 104 S 4.8380 8.4953 112.9314 56.8198 67.2035 173.4529 105 L 5.0296 8.3580 123.7369 53.3428 43.4869 175.5584 106 I 4.9443 8.4873 124.9500 59.7248 40.1865 175.0147 107 L 4.9126 8.5910 127.2027 53.7709 45.6819 177.6896 108 E 4.2552 9.2269 119.0428 56.6404 29.7837 172.7762 109 N 4.3972 7.2061 112.7047 52.9394 39.2683 173.8268 110 N 4.5260 8.2442 119.3274 52.8839 39.1239 174.2159 111 P 4.3890 0.0000 0.0000 65.4337 31.5194 176.9872 112 L 4.5010 7.9433 116.2309 54.0351 41.7662 175.8748 113 V 4.4133 7.9971 118.5012 59.9532 34.1335 174.7910 114 D 5.0934 8.8790 132.6353 54.0629 40.4867 178.1482 115 F 3.9728 8.7586 119.0891 57.1455 38.1095 175.0369 116 V 4.0704 6.8768 120.8044 61.4427 31.0875 174.5683 117 E 4.6493 8.5435 126.5735 54.3828 32.2123 175.6361 118 L 4.6598 8.0995 122.1712 52.2193 43.8810 174.8683 119 P 4.2922 0.0000 0.0000 63.0362 31.7986 177.2571 120 D 4.5049 8.9422 124.5075 57.1431 40.9055 178.6115 121 N 4.3114 7.3959 113.7069 53.7893 37.6382 180.8290 122 H 5.6916 8.4393 117.8112 54.7548 28.0365 174.4047 123 S 4.2262 8.3506 119.6164 60.7424 63.2507 175.3082 124 A 4.3595 7.8245 119.8800 51.8964 18.9195 176.4275 125 L 4.1845 7.6824 119.2023 54.7204 42.9350 177.3456 126 I 4.0695 8.6721 128.7648 59.3407 35.7702 175.7218 127 Y 3.9993 7.8197 126.0073 60.3990 39.4019 178.4532 128 S 4.7171 7.5957 113.2779 57.5426 63.5091 175.3759 129 N 4.3161 8.2970 122.9867 57.0478 38.3448 175.8941 130 L 4.1416 8.1623 121.0657 58.5203 41.9622 178.8219 131 L 3.9953 8.1820 118.5891 58.0303 41.4881 179.3330 132 C 4.3211 8.5966 117.2367 62.5702 28.0341 176.3753 133 G 3.6487 8.0529 107.0479 47.5662 0.0000 175.6728 134 V 3.7095 7.8488 120.8160 65.7959 31.4122 177.9577 135 L 3.8602 7.8545 118.3572 57.8923 41.5094 179.3962 136 R 4.0220 8.0619 118.5616 59.5625 29.7828 178.7988 137 G 3.2244 8.5595 104.2651 47.4891 0.0000 175.2968 138 A 4.1571 8.1684 123.6917 54.9037 18.3819 179.5754 139 L 3.9000 8.0324 117.4242 58.0662 41.5744 179.4539 140 E 4.6279 8.0640 118.9415 58.7768 29.4945 178.3335 141 M 4.2928 7.8893 117.6257 57.0501 32.2070 176.7875 142 V 4.2334 7.7545 111.9296 61.5530 31.8619 175.8895 143 Q 3.6278 8.2825 115.2294 57.2796 26.2696 172.6210 144 M 5.0479 7.9783 116.8547 53.5471 35.2998 174.7124 145 A 4.5357 8.9122 126.7426 50.9946 20.2301 175.9033 146 V 5.1984 8.2200 114.3445 60.2888 36.0683 174.6179 147 E 4.7333 8.6284 119.8623 54.8586 32.5680 174.4662 148 A 5.4646 8.5385 127.4847 49.1676 22.3916 175.2060 149 K 4.3618 7.7085 115.9424 56.5226 34.8925 174.2443 150 F 4.7102 9.2405 120.6345 57.5649 40.0672 176.4574 151 V 4.5494 8.0267 112.0302 61.3715 34.9379 174.4930 152 Q 4.8706 7.7325 119.1057 55.7911 31.8036 172.3138 153 D 4.9857 8.7482 122.4627 52.5588 44.0017 176.9800 154 T 4.0676 8.2084 121.4447 61.6041 67.2204 175.5227 *156 K 4.5368 7.8675 115.6055 56.9913 33.9025 177.4151 157 G 3.8624 7.8172 105.3669 45.9521 0.0000 174.0684 158 D 4.7459 7.4255 118.2796 52.7161 42.1903 177.2084 159 G 3.7118 8.5693 109.3060 48.6230 0.0000 173.8702 160 V 4.5663 7.2286 110.0721 60.0484 36.5735 174.2812 161 T 4.6561 8.7445 118.8166 62.6954 70.1023 173.9883 162 E 5.5536 9.1409 127.1628 53.3300 33.1431 174.1286 163 I 4.4957 8.2150 129.7886 60.1119 39.5721 175.3296 164 R 4.5931 8.7296 128.9747 56.2085 31.0680 171.9328 165 M 5.6712 8.4164 122.6908 51.4692 35.9745 174.7144 166 R 5.0650 8.3117 118.3964 54.0571 32.9567 173.8823 167 F 4.2762 8.2377 127.1461 59.0483 39.0469 174.5194 168 I 4.2474 8.8860 127.8897 62.6258 38.3734 176.6036 169 R 4.2371 7.7209 118.6849 56.1826 31.5145 175.0988 170 R 4.9265 8.6707 121.3587 57.0170 30.7177 176.2262 171 I 4.6154 8.0145 118.9584 61.3003 40.9995 176.7990 *172 E 4.1261 8.7070 119.6985 56.2792 30.3060 175.6601 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 10 E 8.44 4.25 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 11 S 8.11 4.17 0.00 3.72 3.62 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 12 K 9.48 4.30 0.00 1.73 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.44 7.81 13 K 8.25 4.71 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.29 7.81 14 M 7.92 4.82 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 15 S 8.36 4.44 0.00 3.90 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 16 S 9.15 4.45 0.00 4.02 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 17 E 8.05 4.02 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 2.53 2.45 0.00 18 L 8.07 4.03 0.00 1.85 1.79 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.34 4.27 0.00 3.18 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 20 T 8.31 3.65 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 1.27 0.00 0.00 21 L 8.22 3.76 0.00 1.99 2.00 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.45 3.82 4.40 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 1.22 0.00 0.00 23 Y 7.97 3.95 0.00 2.63 2.79 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 24 G 8.01 3.61 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 0.00 0.00 0.00 25 A 7.73 3.92 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 26 L 7.50 3.73 0.00 1.63 1.46 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 27 V 6.97 3.28 1.61 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 0.65 0.00 0.00 -0.27 0.00 0.00 28 T 7.63 3.88 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 1.20 0.00 0.00 29 Q 8.05 4.14 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 30 L 8.36 4.27 0.00 1.54 1.67 0.78 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 C 7.78 4.33 0.00 3.07 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 32 K 7.93 4.34 0.00 1.83 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.66 7.81 33 D 8.04 4.52 0.00 2.49 2.45 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 0.00 0.00 0.00 0.00 34 Y 7.42 4.59 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.01 4.11 0.00 1.99 1.86 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 2.23 1.86 0.00 36 N 7.96 4.94 0.00 2.79 2.85 0.00 0.00 7.17 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.81 4.37 0.00 2.74 2.76 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 0.00 0.00 0.00 38 E 8.30 3.95 0.00 2.00 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 0.00 2.36 2.38 0.00 39 D 8.29 4.42 0.00 2.84 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 40 V 7.43 3.02 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 0.83 0.00 0.00 0.88 0.00 0.00 41 N 7.46 4.19 0.00 2.72 2.81 0.00 0.00 6.68 7.48 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 42 K 7.53 3.82 0.00 1.77 1.83 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.41 7.81 43 Q 7.58 3.84 0.00 1.78 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 44 L 8.19 3.97 0.00 1.77 1.69 0.78 0.82 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 45 D 8.37 4.37 0.00 2.72 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 46 R 8.15 3.97 0.00 1.85 1.93 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 47 M 8.57 4.43 0.00 2.04 2.35 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.58 0.00 48 G 8.43 3.61 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 0.00 0.00 0.00 49 Y 8.72 4.21 0.00 3.11 3.25 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 50 N 8.36 4.26 0.00 2.98 2.87 0.00 0.00 7.11 6.60 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 51 I 7.71 3.84 1.94 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 1.45 1.07 0.82 0.00 0.00 52 G 8.33 3.32 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 0.00 53 V 7.31 3.44 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 0.76 0.00 0.00 0.30 0.00 0.00 54 R 7.36 4.15 0.00 2.06 1.91 0.00 3.17 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 55 L 8.50 3.83 0.00 1.51 1.57 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.51 3.68 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.95 0.00 0.00 57 E 8.18 3.94 0.00 2.22 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 2.41 2.37 0.00 58 D 7.79 4.41 0.00 2.90 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 59 F 8.59 4.18 0.00 3.24 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 60 L 8.74 3.94 0.00 1.85 1.73 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.86 4.06 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 62 R 7.42 4.34 0.00 1.69 1.93 0.00 3.31 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 63 S 6.97 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4.59 0.00 3.75 3.75 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 0.00 0.00 0.00 0.00 93 I 8.37 4.83 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.45 0.64 0.00 0.00 94 T 8.38 4.65 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 1.23 0.00 0.00 95 N 8.55 4.43 0.00 2.92 2.98 0.00 0.00 6.86 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 96 W 8.19 5.28 0.00 3.34 3.28 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 97 S 8.50 4.86 0.00 4.06 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 0.00 98 P 0.00 3.99 0.00 2.14 2.15 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 99 A 7.84 4.63 1.26 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 0.00 100 G 8.80 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.77 1.77 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.67 4.07 1.85 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 1.10 0.35 0.49 0.00 0.00 127 Y 7.82 4.00 0.00 2.97 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 0.00 128 S 7.60 4.72 0.00 3.90 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 0.00 129 N 8.30 4.32 0.00 2.89 2.81 0.00 0.00 6.84 6.69 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 0.00 130 L 8.16 4.14 0.00 1.87 1.70 1.06 0.65 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 0.00 131 L 8.18 4.00 0.00 2.04 1.77 1.13 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 132 C 8.60 4.32 0.00 3.15 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 0.00 133 G 8.05 3.65 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 2.71 2.84 0.00 142 V 7.75 4.23 2.10 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 0.72 0.00 0.00 0.99 0.00 0.00 143 Q 8.28 3.63 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 144 M 7.98 5.05 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.29 0.00 145 A 8.91 4.54 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 0.00 146 V 8.22 5.20 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 0.74 0.00 0.00 0.99 0.00 0.00 147 E 8.63 4.73 0.00 2.02 1.72 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 2.18 2.24 0.00 148 A 8.54 5.46 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 0.00 149 K 7.71 4.36 0.00 1.84 1.89 0.00 1.50 0.00 0.00 1.92 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.24 7.81 150 F 9.24 4.71 0.00 2.90 3.07 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 0.00 151 V 8.03 4.55 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 0.60 0.00 0.00 1.03 0.00 0.00 152 Q 7.73 4.87 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 153 D 8.75 4.99 0.00 2.70 2.47 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 0.00 154 T 8.21 4.07 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 1.27 0.00 0.00 *156 K 7.87 4.54 0.00 1.95 1.91 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 157 G 7.82 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 0.00 158 D 7.43 4.75 0.00 2.89 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 0.00 159 G 8.57 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 0.00 160 V 7.23 4.57 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 0.71 0.00 0.00 0.93 0.00 0.00 161 T 8.74 4.66 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 1.41 0.00 0.00 162 E 9.14 5.55 0.00 1.94 1.72 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 2.09 1.99 0.00 163 I 8.22 4.50 1.58 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 -0.01 0.63 0.00 0.00 164 R 8.73 4.59 0.00 1.47 1.80 0.00 3.21 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 165 M 8.42 5.67 0.00 1.77 0.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 166 R 8.31 5.07 0.00 1.79 1.95 0.00 3.09 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 167 F 8.24 4.28 0.00 1.51 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 0.00 0.00 0.00 168 I 8.89 4.25 2.14 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 1.28 0.92 0.91 0.00 0.00 169 R 7.72 4.24 0.00 1.82 1.93 0.00 2.97 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 170 R 8.67 4.93 0.00 1.62 1.78 0.00 3.21 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 171 I 8.01 4.62 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.17 0.95 0.00 0.00 *172 E 8.71 4.13 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.