NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 W 5.1236 8.2744 120.5338 56.5175 30.8294 173.9280 3 K 4.3661 8.9511 125.5913 54.1637 33.6717 174.4507 4 R 5.2499 9.0681 125.8943 54.8561 32.4086 175.2905 *6 T 4.1838 8.0278 114.6520 63.7368 69.6081 173.3679 7 A 4.7580 8.4257 125.2233 50.6759 23.4843 174.2461 8 K 4.8402 8.6733 116.6391 54.9561 36.3078 176.1317 9 A 4.7544 9.0989 129.6344 51.2252 18.2877 177.6694 10 E 4.1854 9.1854 122.3894 59.8420 30.3368 178.0266 11 G 4.2107 7.8878 104.2268 44.1754 0.0000 171.7772 12 L 5.3276 7.6422 120.4021 52.9631 45.3604 175.1849 13 Y 5.2375 9.0715 119.2230 56.6734 42.9744 173.8450 14 I 4.7058 8.8763 121.0630 59.4234 42.3411 174.2160 15 A 5.0428 9.4776 130.5961 50.4510 19.1797 176.5844 16 D 4.9029 8.6133 118.1858 53.9890 40.3675 176.5612 17 T 4.8162 7.2709 109.8856 60.1033 71.4392 173.3568 18 K 4.1330 8.5249 118.9167 58.4809 32.4564 177.3652 19 S 4.3272 7.7172 114.4711 57.3333 62.8861 174.1110 20 F 4.4510 8.1597 121.1126 58.6955 38.3449 175.3136 21 V 4.0930 6.7997 122.6385 63.4732 31.7604 175.8992 22 T 4.9096 8.6717 118.1909 60.4914 71.7826 173.2738 23 K 5.0265 8.8689 120.4031 54.8723 35.9328 176.1612 24 Q 4.6099 8.8276 121.4046 55.9025 29.2772 175.6277 *26 D 4.6666 8.5625 117.6409 54.0538 43.6154 174.7907 27 K 4.8639 7.7867 117.0247 54.6094 35.5662 175.3405 28 L 4.7269 8.2285 124.4279 53.0061 46.2602 174.8630 29 D 4.8500 8.4034 120.9806 52.6408 43.3985 175.0748 30 F 5.4322 8.8066 122.6980 56.1250 41.3684 174.5198 31 D 4.9935 9.1823 121.9166 52.3204 45.7196 173.9131 32 Y 4.3751 8.1171 119.1090 59.5951 38.1419 176.7655 33 G 3.7008 9.5093 112.6039 44.2198 0.0000 172.1479 34 G 4.0126 7.9208 105.7099 44.7008 0.0000 175.2867 35 I 4.8043 8.6090 127.1473 57.9371 37.6467 173.2369 36 P 2.9700 0.0000 0.0000 63.8644 31.3730 177.0489 37 G 3.8937 8.5576 111.4783 45.1452 0.0000 173.0911 38 D 4.7877 8.1617 119.9443 53.2047 42.0658 176.5710 39 L 3.9202 8.4517 126.9514 58.3531 42.0329 177.7223 40 H 4.7793 8.4906 112.7943 55.2471 28.9200 174.9665 41 F 4.4191 8.0097 123.0760 57.8888 38.4072 173.4911 42 G 3.6174 6.6697 112.7811 43.0985 0.0000 174.1275 43 L 4.1699 7.9923 124.8873 57.0301 43.2547 176.1141 44 T 5.1666 7.0900 106.0681 59.8886 72.3884 172.5630 45 K 4.5390 8.8279 120.2797 56.0183 36.6506 174.4624 46 K 4.9027 8.3279 119.2333 54.5224 33.6060 176.9392 47 A 4.2322 8.9297 127.2361 52.5338 19.7446 177.2929 48 G 3.8012 9.5366 109.2517 44.6365 0.0000 173.1026 49 A 4.0932 8.7687 121.4150 55.0768 18.5513 179.5078 50 R 4.1343 7.9767 113.6771 58.2363 30.9535 176.6181 51 E 4.8065 7.7923 116.5059 54.0054 29.9476 175.3602 52 P 4.4558 0.0000 0.0000 62.6957 30.2486 176.8737 *54 F 4.6018 7.4845 115.8462 57.7100 40.8334 175.8617 55 S 4.4018 8.4147 117.4314 57.7005 63.7778 173.9697 56 R 4.2138 8.4826 121.7204 58.4554 30.1151 177.2240 57 G 3.9851 9.0382 111.6216 45.1475 0.0000 173.7538 58 T 4.0148 7.7071 117.9072 63.3554 69.5238 173.4039 59 E 4.6389 8.6948 128.0686 56.1453 30.4520 175.5322 60 I 4.6077 8.6223 119.5349 58.7254 41.8790 173.9954 61 F 4.4719 8.7368 124.5521 58.7071 40.0007 174.4978 62 N 4.4539 7.2800 124.7135 52.1831 37.9279 174.7173 63 R 4.2444 8.2438 120.7072 56.3946 31.0370 177.4130 64 R 4.5623 7.2462 118.9093 55.6117 29.5965 176.1699 65 Q 4.1814 7.7138 118.3986 58.2393 30.2869 178.7556 66 I 4.8935 8.1036 119.0591 59.2721 41.5374 174.7920 67 S 5.2527 9.1570 120.6896 56.6297 65.7133 173.0520 68 I 5.2261 8.9628 123.4086 59.8031 40.9424 174.8650 69 V 4.9772 8.7751 118.0168 59.7721 36.5206 174.4587 70 S 5.1593 8.3923 116.1043 56.7836 65.6152 175.2429 71 I 3.7153 8.9342 123.2218 64.6983 36.3055 178.7489 72 E 3.9951 8.1227 118.8861 59.5902 28.9350 179.1196 73 E 4.1152 8.3849 118.4022 59.2476 29.5063 179.1271 74 C 4.2911 8.1583 117.1887 62.8287 28.0997 175.7886 75 N 4.3628 8.3353 118.1984 56.1585 38.1014 177.0868 76 E 3.9310 8.1767 120.8450 59.2401 29.5086 178.9578 77 I 3.7349 7.9065 118.8428 64.2942 37.5081 177.7565 78 A 4.2101 8.1567 121.5954 55.2711 17.9735 179.5578 79 L 3.9556 7.8279 115.9588 57.8460 41.8353 181.5925 80 K 4.2270 7.8026 115.8687 56.3112 31.9869 177.7864 *82 G 3.8200 7.9129 105.6685 45.2574 0.0000 173.6603 83 V 4.2357 7.3400 111.7379 58.0571 34.4603 174.3069 84 P 4.4128 0.0000 0.0000 65.6108 31.3346 176.8159 85 R 4.5333 7.5445 110.0245 55.5243 32.1375 174.0430 86 I 4.6358 8.0992 119.0762 59.5283 40.0162 175.3052 87 L 3.9132 6.5217 125.5075 52.8545 42.6740 176.0676 88 P 4.0842 0.0000 0.0000 65.7806 31.0601 178.6722 89 E 4.2467 7.4088 117.9998 58.7322 29.1728 179.3815 90 W 4.4606 7.5966 117.5346 59.1284 29.1458 177.5334 91 L 4.5493 7.8306 116.2268 53.8098 41.5324 176.7297 92 G 4.0982 8.2613 106.8730 45.6872 0.0000 174.2240 93 A 4.6582 7.8118 121.1274 51.5817 19.0167 178.0929 94 N 5.5108 9.0820 116.9573 53.1962 41.2827 175.3492 95 V 5.1478 7.9056 117.7334 61.0948 35.6258 173.6261 96 A 5.3601 9.4255 129.3658 50.4636 21.4892 175.7334 97 V 5.0804 8.8289 116.1990 59.9187 35.2594 175.0670 98 S 4.9980 8.2954 115.5303 55.8961 66.8218 173.8924 99 G 3.7728 8.9457 107.3291 45.6656 0.0000 171.9259 *101 P 4.0723 0.0000 0.0000 63.1628 33.5261 176.7083 102 D 4.5940 8.5546 117.8728 53.7036 38.6357 174.9056 103 L 3.9551 7.8938 122.7983 58.6817 42.6260 178.7693 104 T 3.8714 7.9911 113.3008 66.8719 68.3892 175.2205 105 S 4.3406 7.9279 114.7901 58.8576 63.1087 174.1158 106 L 4.0092 7.9045 124.1342 55.0055 42.2744 176.9704 107 K 4.2738 8.6236 125.4483 55.9432 32.8402 176.3698 108 E 4.3748 8.5710 121.8081 58.2447 29.8364 177.4522 109 G 3.9245 8.5515 111.1788 45.3027 0.0000 174.3338 110 S 5.1045 8.2164 115.8793 58.8658 64.3881 173.5077 111 R 5.1957 9.0320 120.5733 54.5572 33.7701 175.0019 112 I 4.9386 8.7521 122.7556 59.7707 40.3790 174.4252 113 I 5.1073 8.9829 128.5432 59.5964 40.1382 175.7112 114 F 4.7759 9.4755 125.6009 55.3778 40.9040 175.1846 115 P 4.2780 0.0000 0.0000 65.9919 31.0984 178.2332 116 S 4.2891 8.0849 110.2321 59.1495 63.3439 174.6611 117 G 4.0247 8.4618 109.3655 45.0118 0.0000 174.0164 118 A 4.5028 7.7625 121.6564 52.9761 19.3469 176.5858 119 A 5.4068 9.4184 122.8457 50.2296 23.3081 174.8287 120 L 5.0945 9.2472 120.4206 52.8237 45.4626 175.2821 121 L 5.0317 8.7659 125.6763 53.2862 44.1559 175.0715 122 C 4.5580 9.1659 128.2361 59.3913 32.5797 173.4658 123 E 4.4675 9.3821 126.3425 56.1674 30.4818 177.0083 124 G 3.8281 8.2211 108.2942 44.0146 0.0000 172.4649 125 E 4.4294 8.4916 118.8490 56.5385 30.7806 175.6491 126 N 4.8823 8.8240 126.3154 52.0361 39.6265 174.3114 127 D 4.5919 8.6434 127.4553 53.6601 41.5034 174.8508 128 P 4.4072 0.0000 0.0000 62.4634 32.6905 175.1157 129 C 4.9264 8.3575 115.3377 55.7167 32.7698 174.3998 130 I 3.6410 8.2208 118.1026 63.9437 37.3944 177.4094 131 Q 4.2504 8.1821 118.8337 58.8742 28.5804 177.2061 132 P 4.5900 0.0000 0.0000 65.2234 31.2518 178.9776 133 G 3.5360 7.4656 103.7929 47.7883 0.0000 175.7144 134 E 4.0021 8.2410 121.0164 58.9013 29.2064 179.6213 135 V 3.4185 7.4472 117.4745 66.0097 31.9405 177.7407 136 I 3.4342 7.7866 119.7378 64.3711 36.9452 178.0614 137 Q 4.0313 8.2295 120.6005 59.3078 28.6516 178.6539 138 S 4.0260 7.6518 113.7962 60.9244 63.0050 175.2475 139 Y 3.9069 7.1297 118.7330 58.2889 39.3087 175.0311 140 Y 4.9687 7.4296 117.2473 55.5874 38.3128 174.5761 141 P 4.2729 0.0000 0.0000 65.2534 31.9835 178.1197 142 D 4.5145 8.0941 117.2311 54.9261 39.9621 176.1954 143 Q 4.4346 7.9868 120.1054 54.0759 29.8364 173.3879 144 P 4.6103 0.0000 0.0000 62.9037 33.1604 175.7503 145 K 3.8729 8.5941 118.7729 57.3945 29.8929 176.8042 146 L 4.1083 8.6957 120.0597 57.4449 41.6990 178.9685 147 A 4.1180 8.0813 120.8237 55.3924 18.4431 179.7170 148 S 4.1179 8.1378 111.9925 61.5346 63.1873 176.2544 149 A 4.0160 7.9550 124.5124 54.6814 17.9826 179.3974 150 F 4.1835 8.6093 119.4733 61.6365 39.3511 177.4198 151 V 3.2279 7.3507 116.5104 65.9719 31.5348 177.7186 152 R 3.8932 7.8432 118.2407 59.8574 29.8623 178.1813 153 H 4.3768 8.4741 114.8061 57.7614 29.1630 176.8783 154 A 4.2463 7.9994 122.2413 51.6671 18.5696 176.8808 155 L 3.9519 6.5853 119.5788 56.5639 42.3279 177.4407 156 G 4.0997 9.7851 114.6342 46.3624 0.0000 173.4712 157 I 4.6425 7.6203 112.3747 60.8283 38.0628 175.4890 158 R 4.3296 8.4254 118.4777 56.8641 30.1749 176.4465 159 G 3.8679 8.7360 105.5608 44.1509 0.0000 171.9964 160 I 5.2199 8.3364 111.1177 59.2548 41.6751 174.5827 161 V 5.0057 8.5473 114.3988 59.9912 35.3842 174.8835 162 C 5.3859 9.3809 120.1862 58.3889 33.3165 172.7659 163 I 4.8051 8.3952 113.0357 58.9653 40.6037 174.9356 164 V 3.9942 8.8057 124.5766 62.9465 31.0995 175.3558 165 E 4.5402 9.1531 129.6847 57.7215 30.8868 176.3298 166 R 4.6255 7.7077 119.7465 54.0177 33.3826 172.8872 167 P 4.7059 0.0000 0.0000 62.0807 32.3205 175.8526 168 G 4.2505 7.9901 111.5751 46.1838 0.0000 171.1869 169 A 4.7049 7.9587 122.0436 50.7004 20.4953 177.2486 170 V 4.2555 7.5903 112.7855 59.5359 35.9124 174.5030 171 Y 5.1371 9.2579 120.5795 55.9572 42.1928 175.4209 172 T 4.0407 8.5331 119.0491 65.5964 68.9427 175.6736 173 G 4.0298 9.3009 115.0784 44.8754 0.0000 173.4100 174 D 4.5556 8.0524 120.3270 54.8321 42.0347 175.3825 175 E 4.6313 8.7957 123.8976 55.6148 30.7487 175.3949 176 I 4.4620 8.5756 120.1780 58.9741 41.0608 173.8428 177 E 4.7490 8.9144 125.9022 54.6945 31.6321 174.4526 178 V 4.7081 8.2529 126.9092 61.6074 34.3625 173.9749 179 H 4.8853 9.4150 125.9338 54.1326 30.1407 172.8056 180 S 4.8285 9.3100 119.8839 57.6693 63.4130 172.4539 181 Y 3.8514 8.8633 130.2464 58.6191 39.1423 175.4290 182 Q 3.5421 7.6746 126.5062 56.0209 29.6723 172.5596 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 W 8.27 5.12 0.00 3.25 3.31 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 3 K 8.95 4.37 0.00 1.78 1.69 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.50 7.81 4 R 9.07 5.25 0.00 1.84 1.80 0.00 3.36 0.00 0.00 3.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 *6 T 8.03 4.18 4.22 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 1.25 0.00 0.00 7 A 8.43 4.76 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 0.00 8 K 8.67 4.84 0.00 1.80 1.59 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.38 7.81 9 A 9.10 4.75 1.48 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 0.00 0.00 10 E 9.19 4.19 0.00 2.05 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 2.37 2.44 0.00 11 G 7.89 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 0.00 0.00 0.00 12 L 7.64 5.33 0.00 1.34 1.37 0.71 0.76 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 13 Y 9.07 5.24 0.00 3.05 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 14 I 8.88 4.71 1.91 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 1.20 1.86 0.94 0.00 0.00 15 A 9.48 5.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 4.90 0.00 2.79 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 17 T 7.27 4.82 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 1.21 0.00 0.00 18 K 8.52 4.13 0.00 1.76 1.90 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.42 7.81 19 S 7.72 4.33 0.00 3.72 3.65 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 0.00 0.00 0.00 0.00 20 F 8.16 4.45 0.00 3.35 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.80 4.09 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 0.91 0.00 0.00 0.57 0.00 0.00 22 T 8.67 4.91 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 23 K 8.87 5.03 0.00 1.86 1.96 0.00 1.35 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.43 7.81 24 Q 8.83 4.61 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.12 2.47 0.00 *26 D 8.56 4.67 0.00 2.81 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 27 K 7.79 4.86 0.00 1.76 1.53 0.00 1.94 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.97 0.73 7.81 28 L 8.23 4.73 0.00 1.06 1.24 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.40 4.85 0.00 2.46 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 0.00 0.00 0.00 0.00 30 F 8.81 5.43 0.00 2.88 2.72 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 31 D 9.18 4.99 0.00 2.75 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 32 Y 8.12 4.38 0.00 3.10 2.89 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 0.00 0.00 0.00 33 G 9.51 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 0.00 0.00 0.00 34 G 7.92 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 0.00 0.00 0.00 0.00 35 I 8.61 4.80 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.93 0.00 0.00 36 P 0.00 2.97 0.00 1.72 1.46 0.00 3.59 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 1.80 1.47 0.00 37 G 8.56 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.16 4.79 0.00 2.80 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 39 L 8.45 3.92 0.00 1.73 1.62 0.97 0.89 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 40 H 8.49 4.78 0.00 3.30 3.30 0.00 5.91 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.01 4.42 0.00 3.19 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 42 G 6.67 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 0.00 0.00 0.00 43 L 7.99 4.17 0.00 1.72 1.59 1.10 0.64 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 44 T 7.09 5.17 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 1.18 0.00 0.00 45 K 8.83 4.54 0.00 1.72 1.79 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.34 7.81 46 K 8.33 4.90 0.00 1.64 1.75 0.00 1.96 0.00 0.00 1.67 0.00 0.00 2.69 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.36 7.81 47 A 8.93 4.23 1.30 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 0.00 0.00 48 G 9.54 3.80 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 0.00 49 A 8.77 4.09 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 50 R 7.98 4.13 0.00 1.84 2.02 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 51 E 7.79 4.81 0.00 2.12 2.27 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 2.35 2.34 0.00 52 P 0.00 4.46 0.00 2.16 2.12 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 *54 F 7.48 4.60 0.00 3.24 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 55 S 8.41 4.40 0.00 4.04 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 56 R 8.48 4.21 0.00 1.84 1.96 0.00 3.39 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 57 G 9.04 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 0.00 0.00 0.00 58 T 7.71 4.01 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 1.14 0.00 0.00 59 E 8.69 4.64 0.00 1.93 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 2.23 2.24 0.00 60 I 8.62 4.61 1.54 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.86 0.01 0.00 0.00 61 F 8.74 4.47 0.00 2.99 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 62 N 7.28 4.45 0.00 2.45 2.33 0.00 0.00 7.15 7.06 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 63 R 8.24 4.24 0.00 2.12 2.29 0.00 3.17 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 64 R 7.25 4.56 0.00 1.66 1.83 0.00 3.15 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 65 Q 7.71 4.18 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.60 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 66 I 8.10 4.89 1.71 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.35 0.80 0.00 0.00 67 S 9.16 5.25 0.00 3.89 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 68 I 8.96 5.23 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 1.07 0.00 0.00 69 V 8.78 4.98 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 0.83 0.00 0.00 0.94 0.00 0.00 70 S 8.39 5.16 0.00 4.14 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 71 I 8.93 3.72 1.89 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 1.74 1.17 0.91 0.00 0.00 72 E 8.12 4.00 0.00 2.06 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 2.41 2.47 0.00 73 E 8.38 4.12 0.00 2.05 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 0.00 2.34 2.36 0.00 74 C 8.16 4.29 0.00 3.14 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 75 N 8.34 4.36 0.00 2.94 2.87 0.00 0.00 6.64 6.99 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 76 E 8.18 3.93 0.00 2.17 2.16 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 2.32 2.36 0.00 77 I 7.91 3.73 2.14 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 1.52 0.93 1.15 0.00 0.00 78 A 8.16 4.21 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 79 L 7.83 3.96 0.00 1.87 1.74 0.92 0.86 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 80 K 7.80 4.23 0.00 1.82 1.65 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.57 7.81 *82 G 7.91 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 83 V 7.34 4.24 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 0.26 0.00 0.00 0.97 0.00 0.00 84 P 0.00 4.41 0.00 2.23 2.21 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 85 R 7.54 4.53 0.00 1.79 1.86 0.00 3.03 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 1.65 1.58 0.00 86 I 8.10 4.64 2.09 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.12 1.06 0.00 0.00 87 L 6.52 3.91 0.00 0.27 0.96 0.29 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.08 0.00 1.40 1.85 0.00 3.31 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 89 E 7.41 4.25 0.00 1.83 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 2.54 2.03 0.00 90 W 7.60 4.46 0.00 3.42 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 91 L 7.83 4.55 0.00 1.75 1.77 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.26 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 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127 D 8.64 4.59 0.00 2.59 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 0.00 128 P 0.00 4.41 0.00 1.63 1.69 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 129 C 8.36 4.93 0.00 3.10 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 0.00 130 I 8.22 3.64 1.92 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 1.69 1.26 0.96 0.00 0.00 131 Q 8.18 4.25 0.00 2.02 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 132 P 0.00 4.59 0.00 1.54 2.07 0.00 3.92 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.68 0.00 133 G 7.47 3.54 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 0.00 0.00 0.00 134 E 8.24 4.00 0.00 2.22 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 2.35 2.62 0.00 135 V 7.45 3.42 2.29 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 0.74 0.00 0.00 0.98 0.00 0.00 136 I 7.79 3.43 2.01 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.58 1.16 0.00 0.00 137 Q 8.23 4.03 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 138 S 7.65 4.03 0.00 3.75 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 0.00 139 Y 7.13 3.91 0.00 2.08 2.07 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 0.00 140 Y 7.43 4.97 0.00 3.01 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 0.00 141 P 0.00 4.27 0.00 2.16 2.15 0.00 3.86 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 2.00 1.92 0.00 142 D 8.09 4.51 0.00 2.84 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 0.00 143 Q 7.99 4.43 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 144 P 0.00 4.61 0.00 2.18 2.05 0.00 3.92 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 145 K 8.59 3.87 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.45 7.81 146 L 8.70 4.11 0.00 1.84 1.81 1.05 0.83 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 0.00 147 A 8.08 4.12 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 0.00 148 S 8.14 4.12 0.00 4.08 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 0.00 149 A 7.96 4.02 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.61 4.18 0.00 3.19 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 0.00 151 V 7.35 3.23 2.19 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 0.80 0.00 0.00 1.08 0.00 0.00 152 R 7.84 3.89 0.00 1.94 1.88 0.00 2.73 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 153 H 8.47 4.38 0.00 3.21 3.33 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.00 4.25 0.77 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 0.00 0.00 155 L 6.59 3.95 0.00 1.79 1.63 0.87 1.05 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 0.00 156 G 9.79 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.62 4.64 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 1.02 0.00 0.00 158 R 8.43 4.33 0.00 1.92 2.10 0.00 3.39 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 159 G 8.74 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 0.00 160 I 8.34 5.22 1.99 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 1.27 1.35 0.94 0.00 0.00 161 V 8.55 5.01 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 0.70 0.00 0.00 0.99 0.00 0.00 162 C 9.38 5.39 0.00 2.73 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 0.00 163 I 8.40 4.81 1.99 0.00 0.00 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 1.33 1.41 1.06 0.00 0.00 164 V 8.81 3.99 2.16 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 0.65 0.00 0.00 0.73 0.00 0.00 165 E 9.15 4.54 0.00 2.08 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 2.33 2.32 0.00 166 R 7.71 4.63 0.00 1.93 1.82 0.00 3.27 0.00 0.00 3.60 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 167 P 0.00 4.71 0.00 1.82 1.94 0.00 3.74 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.96 0.00 168 G 7.99 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 0.00 0.00 0.00 0.00 169 A 7.96 4.70 0.98 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 0.00 170 V 7.59 4.26 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 -1.00 0.00 0.00 -0.20 0.00 0.00 171 Y 9.26 5.14 0.00 2.95 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 0.00 172 T 8.53 4.04 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 1.23 0.00 0.00 173 G 9.30 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 0.00 174 D 8.05 4.56 0.00 2.95 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 0.00 175 E 8.80 4.63 0.00 1.97 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 2.23 2.28 0.00 176 I 8.58 4.46 1.42 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.63 -0.08 0.00 0.00 177 E 8.91 4.75 0.00 1.98 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 2.03 2.14 0.00 178 V 8.25 4.71 2.07 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 1.00 0.00 0.00 0.90 0.00 0.00 179 H 9.41 4.89 0.00 3.01 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 S 9.31 4.83 0.00 3.97 3.83 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 0.00 181 Y 8.86 3.85 0.00 2.86 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 0.00 182 Q 7.67 3.54 0.00 1.56 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.42 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.