NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 3.8681 8.3544 109.7334 45.3188 0.0000 173.1562 13 Q 4.0682 8.2961 122.9702 54.0046 30.0464 170.0197 14 V 4.1260 9.0017 125.6958 62.7230 33.4060 174.6526 15 K 4.6260 8.7386 126.4126 54.5514 35.2123 175.1694 16 V 4.7637 7.8790 123.0737 61.3169 34.5086 174.1945 17 F 5.3609 9.0132 123.9394 56.0115 44.3245 173.1036 18 R 5.0271 8.8821 120.7092 54.3287 32.6222 174.7778 19 A 4.4456 9.3614 129.1360 52.2442 18.7978 177.9259 20 L 3.5364 8.7991 123.2226 55.9970 42.8984 176.1288 21 Y 5.0372 7.7200 113.8633 56.3987 42.4530 174.7924 22 T 4.6933 8.7849 116.9352 62.9836 70.2614 174.4614 23 F 4.6478 9.1581 128.1874 56.4005 41.8015 173.7101 24 E 4.8565 8.2792 126.5695 54.3812 30.3044 174.9150 25 P 4.5755 0.0000 0.0000 63.7417 31.9805 177.0396 26 R 4.3063 9.1758 119.9311 56.6888 30.3053 174.4485 27 T 4.7341 7.4363 105.1479 59.3138 71.5085 173.1419 28 P 4.3102 0.0000 0.0000 65.0175 31.7199 177.4472 29 D 4.5731 7.7901 116.9186 55.0891 41.1589 175.7841 30 E 4.9560 7.5172 119.0532 55.4827 30.8220 175.6630 31 L 4.5824 8.8411 125.3899 54.4211 43.3395 175.1169 32 Y 5.1763 8.6658 126.9443 56.6776 40.4021 174.6514 33 I 4.3924 8.0404 125.6313 59.7840 41.7971 174.2448 34 E 4.7423 8.5585 128.8073 55.0163 31.8799 176.3633 35 E 4.1534 8.1028 118.6020 57.9385 30.0645 178.4044 36 G 4.0271 9.5276 114.0064 44.3293 0.0000 173.7578 37 D 4.5126 7.8340 119.3811 54.6072 42.1522 175.4098 38 I 4.6598 8.1481 121.7380 60.0145 38.9539 175.0741 39 I 4.6680 8.7504 127.7941 59.7145 40.1981 174.1943 40 Y 5.0200 9.2392 125.3013 56.4544 40.0515 175.0292 41 I 4.6669 8.9297 127.2757 61.1488 37.7079 176.8515 42 T 4.4137 9.0124 124.6294 64.0766 70.1615 174.4922 43 D 4.6347 7.6514 119.1899 52.3821 44.8849 175.6551 *45 S 4.3779 8.6202 116.3203 58.2225 64.6820 174.2913 46 D 4.6046 8.0700 119.4110 53.7628 41.7636 175.9467 47 T 4.1250 8.7942 122.7540 66.8793 68.8163 175.1360 48 N 4.3846 8.3677 117.2374 53.5158 40.6189 174.8114 49 W 4.9759 8.6224 118.3784 54.5739 31.6403 175.3770 50 W 5.4265 9.3486 125.0526 55.1138 31.6586 175.1540 51 K 4.9782 8.6677 122.4402 55.5411 33.6043 176.1330 52 G 4.5986 8.9106 110.3254 45.8224 0.0000 171.3953 53 T 5.4689 9.1695 116.5673 61.9566 72.0498 173.9024 54 S 4.9678 9.4180 118.7949 57.8844 66.3839 174.4515 55 K 3.7946 9.9177 126.7790 57.5484 29.5051 175.5703 56 G 4.0368 8.5268 109.2558 46.0448 0.0000 174.5923 57 R 4.5209 7.7214 118.1116 55.2235 30.7156 180.5215 58 T 5.1501 8.2760 117.5002 61.6532 71.1710 174.2366 59 G 4.1773 8.6523 112.2413 45.9408 0.0000 171.2635 60 L 5.5031 8.3945 119.5788 53.3045 44.7932 175.9664 61 I 4.8483 9.0711 122.5004 58.7180 41.9293 172.4969 62 P 3.7292 0.0000 0.0000 62.0873 31.7533 177.2404 63 S 2.7900 7.8661 118.3689 61.1884 62.1381 176.5634 64 N 3.9935 7.3546 119.8870 56.3495 38.7217 176.1159 65 Y 3.9146 7.5230 121.0914 60.5058 38.6388 178.1216 66 V 3.1381 7.3597 117.3363 65.8529 31.7392 177.4751 67 A 4.0480 7.7671 119.4579 54.2427 18.2022 178.4150 68 E 4.5640 7.5014 114.8685 56.2704 31.7332 176.7363 69 Q 4.8335 8.0425 116.4376 55.0568 31.0337 174.6796 70 A 5.0120 7.5131 119.7032 50.6589 23.1317 175.8404 71 E 4.6838 8.8988 118.7891 54.4671 32.7739 174.6540 72 S 4.2257 9.0074 122.7410 58.2361 64.0513 173.4760 73 I 4.2246 7.9159 126.2633 59.7470 37.4755 175.7011 74 D 4.3973 8.8473 128.0475 56.8700 41.6027 176.8804 75 N 5.0074 7.5976 114.9230 50.0357 39.1862 172.9037 76 P 4.0434 0.0000 0.0000 65.6225 31.8422 178.5179 77 L 3.5704 7.5952 119.5368 57.9686 41.9932 178.4015 78 H 4.1418 8.1875 115.6587 58.8436 28.5881 177.1421 79 E 3.7962 8.1759 120.7133 59.1752 29.5087 178.5690 80 A 4.1300 7.6612 120.5863 55.1437 18.3812 179.1999 81 A 3.8575 7.8281 119.0602 55.5465 18.2786 179.7327 82 K 3.8341 7.9139 115.5364 59.4902 32.2364 178.6959 83 R 4.4683 7.6326 114.8413 55.1563 30.4342 176.7469 84 G 3.6248 7.5715 106.8260 46.9402 0.0000 175.0962 85 N 4.6836 7.9442 120.4362 51.5976 37.4082 174.3804 86 L 3.9583 8.0482 127.3126 57.6847 42.5140 178.1228 87 S 4.1631 8.1050 114.5921 61.5584 62.8760 176.4596 88 W 4.4507 8.3519 130.9577 60.2354 30.3562 177.6904 89 L 3.6536 7.8957 120.1044 58.1987 41.4639 178.9049 90 R 3.8429 8.3208 118.9349 59.4866 30.0444 178.0790 91 E 3.8912 8.4695 119.2518 59.2801 29.6947 178.5378 92 C 4.0767 8.6195 117.0954 62.8229 28.2052 176.0699 93 L 3.9259 8.0704 120.7344 58.0365 41.0110 179.4026 94 D 4.4180 8.1041 117.6420 56.7636 40.6604 177.4268 95 N 4.7267 7.5470 117.4982 53.0802 39.1081 175.7144 96 R 3.8781 7.6820 116.5375 57.0494 27.4232 179.8989 97 V 3.7891 7.5814 119.0347 63.0753 32.0268 176.0561 98 G 3.7249 8.5411 116.5068 45.5925 0.0000 174.1754 99 V 3.7113 8.4823 118.0873 63.6968 31.8233 176.7506 100 N 4.8784 7.9900 114.8154 52.5071 39.1749 174.9197 101 G 3.7732 7.9587 108.6031 45.8936 0.0000 172.7548 102 L 4.9465 8.2466 123.1830 52.8114 43.8965 176.7161 103 D 4.6773 8.5978 122.6268 52.0920 41.4707 176.8269 104 K 4.0153 8.6372 116.8787 59.1736 32.7849 177.1040 105 A 4.4312 8.9732 122.5523 51.5778 19.3741 177.8509 106 G 3.7569 8.1875 104.3995 45.9160 0.0000 174.2359 107 S 4.2366 7.8267 115.6904 57.5038 64.3701 173.8270 108 T 5.0759 8.1808 114.8527 59.5463 71.8492 175.6867 109 A 4.0148 8.2139 122.5178 55.2908 18.2663 179.4520 110 L 3.8724 7.9562 118.2557 58.3940 42.0780 178.3059 111 Y 3.8677 7.8992 119.3435 60.6691 38.7265 178.3644 112 W 4.3984 8.0280 118.9856 59.7409 29.1287 178.4725 113 A 4.1227 8.3534 120.9119 55.2724 17.8583 179.5709 114 C 3.9720 8.1620 115.3623 63.1859 28.0250 175.7605 115 H 4.2356 8.3050 119.1030 58.2397 29.4068 176.3689 116 G 4.1088 7.8033 104.3808 43.3469 0.0000 173.6687 117 G 2.5184 7.1474 108.1202 46.6236 0.0000 175.0179 118 H 4.4461 7.5612 119.0309 53.8576 28.2500 175.4571 119 K 3.7926 8.2332 127.3433 59.3419 31.9975 177.8320 120 D 4.2826 7.9324 117.3568 57.5799 40.9172 178.3845 121 I 3.7745 7.5860 118.1427 64.2390 37.4068 178.2536 122 V 3.4474 7.6879 118.8962 65.8062 31.4495 179.6898 123 E 3.9685 8.1330 116.9792 56.6845 29.4025 178.9982 *125 L 4.4075 7.9670 121.2699 54.9015 43.7191 179.3842 126 F 4.6273 8.1890 116.7612 60.6435 38.8500 176.2699 127 T 4.2478 7.5435 107.1256 62.3509 69.0059 174.5129 128 Q 4.4412 7.7606 122.1968 54.2149 29.7047 174.0639 129 P 4.3003 0.0000 0.0000 63.8450 31.9944 176.6786 130 N 4.5535 8.9018 117.0513 53.7450 36.0420 174.1997 131 I 3.7284 7.1490 119.1393 61.1763 38.1741 174.9872 132 E 4.3397 9.1167 129.9411 55.1240 29.3647 175.9316 133 L 4.2669 8.5214 127.1448 56.7216 42.1291 177.6468 134 N 4.8861 8.2557 113.7262 52.5524 39.1186 174.5936 135 Q 4.0266 7.9496 120.9116 56.4153 29.6401 174.9898 136 Q 4.8174 8.4156 123.7256 54.1238 30.8956 175.2632 137 N 4.7629 8.1755 119.6571 50.9906 39.2396 175.8059 138 K 3.3711 8.0698 117.4360 59.6540 32.1794 178.1531 139 L 4.1594 7.9269 116.0941 54.6127 41.9868 177.9566 140 G 3.9814 9.1978 109.1814 45.4336 0.0000 172.9916 141 D 4.4139 8.0577 120.6093 53.5691 41.7823 176.4399 142 T 5.0277 8.5031 112.4460 59.3556 71.0493 175.2299 143 A 3.9466 8.8541 123.5268 55.7802 18.1841 179.7762 144 L 4.0194 7.9826 117.8959 58.2526 42.1304 178.5911 145 H 4.1185 8.2036 115.8516 58.8716 28.7355 177.4005 146 A 3.9938 7.9038 121.6996 55.3188 18.2045 179.5704 147 A 4.1822 8.1186 118.9893 55.1476 18.5241 179.8500 148 A 3.9088 8.0300 119.0923 54.9878 18.3135 179.4721 149 W 3.9678 8.2325 125.8760 60.6124 30.9178 177.6977 150 K 4.2215 8.2069 114.9090 56.0696 31.7379 177.2532 151 G 3.5645 7.3900 106.9255 47.1719 0.0000 174.9667 152 Y 4.5595 7.4533 119.6510 55.9952 36.9846 175.3642 153 A 4.0674 8.3375 127.4769 55.0370 18.7717 178.7811 154 D 4.3338 8.1176 117.2062 56.6506 39.5370 178.7865 155 I 3.7495 7.7636 120.8345 63.9144 37.1112 178.3381 156 V 3.6027 8.0137 119.1641 66.0125 31.3872 177.4891 157 Q 3.9968 8.3418 119.6394 59.6225 28.8287 178.8702 158 L 4.1807 8.0883 119.5639 57.6879 41.5571 179.5287 159 L 4.2174 8.4395 119.2990 57.8065 41.5662 179.4733 160 L 3.9445 8.2115 118.7136 57.8506 41.4135 179.1791 161 A 3.9909 8.1051 119.5601 55.3145 18.4201 179.1377 162 K 3.9716 7.7578 114.9256 57.2127 32.2181 177.2850 163 G 3.8074 8.1425 106.6180 46.1174 0.0000 173.6674 164 A 4.1903 7.8152 122.4134 51.5968 18.9033 178.9304 165 R 4.0789 9.3136 122.5482 56.6719 30.5365 177.0087 166 T 4.5143 8.5167 110.9417 61.4567 69.3234 174.2812 167 D 4.7477 7.8351 120.4195 53.5184 40.5897 176.5994 168 L 4.2764 7.7822 120.4749 54.5492 42.4228 176.1376 169 R 4.8525 8.3118 121.4014 54.2545 32.6553 176.1002 170 N 4.9953 8.4652 119.3573 51.2249 39.0445 175.7360 171 I 3.8197 8.0988 118.4033 64.4350 37.0705 177.0201 172 E 4.3971 8.2880 117.8255 55.7352 29.1984 176.0374 173 K 3.9547 8.2119 116.8237 57.3865 30.3414 175.2932 174 K 4.7600 8.3036 118.0865 54.6928 33.7884 176.7697 175 L 4.7738 8.9188 123.2959 53.7024 42.6329 177.7674 176 A 3.8449 8.4943 122.9203 55.5106 18.4561 179.1274 177 F 4.2747 8.3856 116.6974 61.6020 39.6455 178.0897 178 D 4.4116 7.6948 120.9503 53.4828 39.4691 176.4000 *180 A 4.1881 7.8498 120.6835 52.2881 19.7619 177.2639 181 T 4.2937 7.9827 110.4677 61.4123 71.2328 174.9391 182 N 4.2711 7.7927 120.5988 53.2806 40.4109 175.2756 183 A 3.9601 8.5602 129.0816 55.2100 18.6964 179.6669 184 A 4.0006 8.0382 118.8875 55.2406 18.2631 179.6117 185 C 4.0561 8.2144 114.5123 62.8214 28.4650 175.4730 186 A 4.0206 7.9296 122.3911 55.4289 17.8159 179.7177 187 S 4.1160 8.1361 111.3827 61.5802 62.3029 176.3173 188 L 4.0262 7.8115 120.3512 56.9544 41.4235 178.4303 189 L 4.6411 7.5247 116.2520 53.4118 42.9231 176.6917 190 K 3.8451 7.1458 118.4242 55.4045 33.6852 177.0574 191 K 3.9660 8.2274 123.4930 56.6292 32.5293 178.0265 192 K 4.0635 8.4717 124.8550 54.8818 32.2906 174.2733 193 Q 4.2185 8.4247 116.6057 56.8372 28.7637 176.2741 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 12 G 8.35 3.87 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 0.00 0.00 0.00 13 Q 8.30 4.07 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 14 V 9.00 4.13 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 1.02 0.00 0.00 1.01 0.00 0.00 15 K 8.74 4.63 0.00 1.80 1.50 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.44 7.81 16 V 7.88 4.76 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 1.02 0.00 0.00 1.04 0.00 0.00 17 F 9.01 5.36 0.00 2.98 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 18 R 8.88 5.03 0.00 1.77 1.70 0.00 2.99 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 19 A 9.36 4.45 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 20 L 8.80 3.54 0.00 1.39 1.21 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.72 5.04 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.78 4.69 4.37 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 1.45 0.00 0.00 23 F 9.16 4.65 0.00 2.25 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 24 E 8.28 4.86 0.00 1.68 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 2.30 0.00 25 P 0.00 4.58 0.00 2.37 2.26 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 26 R 9.18 4.31 0.00 1.83 1.87 0.00 3.21 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 27 T 7.44 4.73 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 1.15 0.00 0.00 28 P 0.00 4.31 0.00 2.05 2.13 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 29 D 7.79 4.57 0.00 2.63 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 30 E 7.52 4.96 0.00 2.11 2.11 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 2.48 2.07 0.00 31 L 8.84 4.58 0.00 1.77 1.72 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.67 5.18 0.00 2.98 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 33 I 8.04 4.39 1.80 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 0.61 0.94 0.00 0.00 34 E 8.56 4.74 0.00 1.94 1.80 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 2.30 2.14 0.00 35 E 8.10 4.15 0.00 1.96 1.77 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 2.27 2.15 0.00 36 G 9.53 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 37 D 7.83 4.51 0.00 2.84 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 38 I 8.15 4.66 1.88 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.30 0.70 0.00 0.00 39 I 8.75 4.67 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 1.06 0.00 0.00 40 Y 9.24 5.02 0.00 3.02 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 41 I 8.93 4.67 2.05 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.64 0.00 0.00 42 T 9.01 4.41 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 1.22 0.00 0.00 43 D 7.65 4.63 0.00 2.61 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 *45 S 8.62 4.38 0.00 4.09 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 46 D 8.07 4.60 0.00 2.82 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 47 T 8.79 4.13 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 1.20 0.00 0.00 48 N 8.37 4.38 0.00 2.62 2.39 0.00 0.00 6.82 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 49 W 8.62 4.98 0.00 3.22 3.16 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 50 W 9.35 5.43 0.00 3.38 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 51 K 8.67 4.98 0.00 1.78 1.79 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 52 G 8.91 4.60 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 0.00 0.00 0.00 53 T 9.17 5.47 4.48 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 1.32 0.00 0.00 54 S 9.42 4.97 0.00 3.93 3.70 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 55 K 9.92 3.79 0.00 2.16 1.84 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 0.98 7.81 56 G 8.53 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 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0.00 1.99 1.94 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 2.33 2.38 0.00 *125 L 7.97 4.41 0.00 1.78 1.79 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.19 4.63 0.00 3.20 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 0.00 127 T 7.54 4.25 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 1.33 0.00 0.00 128 Q 7.76 4.44 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 129 P 0.00 4.30 0.00 2.17 1.96 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 130 N 8.90 4.55 0.00 2.88 2.94 0.00 0.00 6.91 7.45 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 0.00 131 I 7.15 3.73 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 1.01 0.00 0.00 132 E 9.12 4.34 0.00 1.94 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 2.29 2.40 0.00 133 L 8.52 4.27 0.00 1.67 1.73 0.77 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.26 4.89 0.00 2.79 2.82 0.00 0.00 6.93 7.30 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 0.00 135 Q 7.95 4.03 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 136 Q 8.42 4.82 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 137 N 8.18 4.76 0.00 2.96 2.66 0.00 0.00 6.84 6.86 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 0.00 138 K 8.07 3.37 0.00 1.71 1.89 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.49 7.81 139 L 7.93 4.16 0.00 1.71 1.59 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 140 G 9.20 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 0.00 0.00 0.00 141 D 8.06 4.41 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 0.00 142 T 8.50 5.03 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 1.33 0.00 0.00 143 A 8.85 3.95 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 0.00 144 L 7.98 4.02 0.00 1.83 1.72 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 145 H 8.20 4.12 0.00 3.60 3.42 0.00 5.88 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 0.00 146 A 7.90 3.99 0.97 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 0.00 0.00 147 A 8.12 4.18 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 0.00 148 A 8.03 3.91 1.44 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 0.00 0.00 149 W 8.23 3.97 0.00 3.40 3.37 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 0.00 150 K 8.21 4.22 0.00 1.41 1.47 0.00 2.24 0.00 0.00 2.18 0.00 0.00 3.17 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.88 1.89 7.81 151 G 7.39 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 0.00 0.00 0.00 152 Y 7.45 4.56 0.00 3.12 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 0.00 153 A 8.34 4.07 1.33 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 0.00 154 D 8.12 4.33 0.00 2.98 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 0.00 155 I 7.76 3.75 2.06 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 1.47 0.76 0.90 0.00 0.00 156 V 8.01 3.60 2.26 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 1.11 0.00 0.00 1.00 0.00 0.00 157 Q 8.34 4.00 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 158 L 8.09 4.18 0.00 2.04 2.06 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.44 4.22 0.00 1.92 1.81 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.21 3.94 0.00 1.89 1.73 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.11 3.99 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 0.00 162 K 7.76 3.97 0.00 1.16 1.26 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.83 1.07 7.81 163 G 8.14 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 0.00 0.00 0.00 164 A 7.82 4.19 1.28 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 0.00 0.00 165 R 9.31 4.08 0.00 1.92 2.08 0.00 3.12 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 166 T 8.52 4.51 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 1.27 0.00 0.00 167 D 7.84 4.75 0.00 2.80 2.81 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 0.00 168 L 7.78 4.28 0.00 1.73 1.69 0.97 0.87 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 0.00 169 R 8.31 4.85 0.00 1.79 1.84 0.00 3.22 0.00 0.00 3.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 170 N 8.47 5.00 0.00 3.09 2.89 0.00 0.00 6.87 7.20 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 0.00 171 I 8.10 3.82 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.89 0.00 0.00 172 E 8.29 4.40 0.00 2.10 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 2.32 0.00 173 K 8.21 3.95 0.00 1.89 1.93 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 174 K 8.30 4.76 0.00 2.01 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.64 7.81 175 L 8.92 4.77 0.00 1.85 1.67 0.96 0.58 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 0.00 176 A 8.49 3.84 1.23 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 0.00 0.00 0.00 177 F 8.39 4.27 0.00 3.13 3.13 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 0.00 178 D 7.69 4.41 0.00 2.86 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 *180 A 7.85 4.19 1.14 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 0.00 0.00 181 T 7.98 4.29 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 0.98 0.00 0.00 182 N 7.79 4.27 0.00 2.62 2.59 0.00 0.00 7.12 7.79 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 0.00 183 A 8.56 3.96 1.29 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 0.00 184 A 8.04 4.00 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 0.00 185 C 8.21 4.06 0.00 3.06 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 0.00 186 A 7.93 4.02 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 0.00 187 S 8.14 4.12 0.00 4.00 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 0.00 188 L 7.81 4.03 0.00 1.89 1.77 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 189 L 7.52 4.64 0.00 1.85 1.92 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 190 K 7.15 3.85 0.00 1.70 1.78 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.66 1.38 7.81 191 K 8.23 3.97 0.00 1.67 1.73 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.27 7.81 192 K 8.47 4.06 0.00 1.77 1.62 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.05 7.81 193 Q 8.42 4.22 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.