NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3168 8.3027 118.7949 55.9376 31.3441 176.1629 3 Q 3.8783 8.4801 118.9189 58.8864 29.1581 176.7118 4 R 4.0035 8.8319 117.8653 59.2549 31.2470 178.6393 5 R 3.9181 7.3474 116.3883 58.7889 30.1038 177.6718 6 L 4.0406 7.6497 118.2680 56.8266 42.7299 177.2546 7 A 4.4154 7.4509 122.8797 52.1435 16.7914 177.3207 8 S 4.9223 7.6333 114.8244 57.8402 64.0367 176.9361 9 T 4.0958 8.0301 111.9837 63.6363 68.9046 174.6587 10 E 4.5068 8.3371 119.6562 55.6620 30.1588 174.5458 11 W 5.0878 8.0127 119.4754 55.4067 32.0704 175.2900 12 V 4.8707 8.9391 116.2010 59.4977 35.5255 174.7259 13 D 4.9638 8.8796 123.7418 54.4861 41.8565 175.6041 14 I 4.7300 8.9093 124.2035 59.8421 39.2789 175.2318 15 V 5.0395 8.4793 119.9116 59.5268 35.2234 175.9933 16 N 4.8020 8.6521 120.3828 51.9897 39.2601 175.5031 17 E 3.9731 8.7368 116.4776 59.6989 29.5260 177.7442 18 E 4.3180 8.3481 115.8843 55.5349 29.6244 175.3630 19 N 3.9882 7.8639 116.0121 54.6813 37.8125 173.6345 20 E 4.5795 8.0955 115.5006 53.9904 31.7677 176.1400 21 V 4.1981 8.2968 123.2187 62.9831 31.9488 175.4517 22 I 4.5952 8.4543 119.5063 60.5666 39.2152 174.4400 23 A 4.5295 7.4163 123.2300 51.8537 22.5696 174.6638 24 Q 5.2289 8.8383 116.6622 54.4484 32.4675 175.1930 25 A 4.9930 9.1901 124.0714 49.6255 23.0456 175.6632 26 S 3.1286 7.1028 113.7701 57.8380 63.1810 174.2769 27 R 3.7622 8.5380 123.1334 59.7974 29.7757 177.6068 28 E 3.9622 8.0547 119.1854 59.1982 30.1451 178.5737 29 Q 4.2491 7.6975 119.5937 56.2272 28.5618 178.0813 *31 R 4.0244 8.2574 116.1582 55.6814 31.9952 177.8667 32 A 3.9537 8.0662 119.3380 54.6698 18.3264 178.1095 33 Q 4.4344 7.7793 111.2258 54.9930 29.5194 174.9082 34 C 3.9275 7.7176 117.0472 60.0816 30.4606 173.2679 35 L 4.1579 7.8416 116.9675 54.1396 42.2721 177.2131 36 R 4.5175 8.5747 123.6918 57.0300 31.3968 175.0324 37 H 5.3155 8.9173 120.5167 54.8245 32.8786 171.6732 38 R 5.3357 8.7209 115.7801 54.7926 32.6947 175.5659 39 A 5.2593 8.9694 123.3643 50.5447 23.3013 174.9387 40 T 5.2183 8.7150 109.8007 60.4848 72.0311 173.4543 41 Y 4.9503 9.3324 120.4190 56.6154 41.9580 174.2470 42 I 4.7959 8.8654 126.2794 59.2399 40.0820 175.2439 43 V 3.7300 8.5368 128.7146 62.3460 32.4567 174.9638 44 V 4.5356 8.1126 129.3326 62.0011 32.7981 174.2587 45 H 5.8830 9.3947 123.6957 54.0457 32.0841 173.8220 46 D 4.4925 9.0947 117.5449 52.6811 39.9373 176.2008 47 G 3.6220 7.9910 107.1017 47.0681 0.0000 174.5806 *49 G 3.9365 7.9535 103.5759 44.5250 0.0000 172.5957 50 K 5.0551 8.6313 118.9906 54.3635 36.0881 175.0560 51 I 5.1760 9.0978 122.4337 59.5082 40.6144 174.7114 52 L 3.9244 8.7822 129.9278 54.3312 42.1191 176.2065 53 V 4.4021 8.6287 127.3313 61.8111 33.9868 174.4683 54 Q 4.9003 8.7779 124.0100 53.9973 32.3990 174.4037 55 R 4.4471 8.8149 124.9176 54.8360 31.5997 175.7346 56 R 4.3387 8.4531 126.4072 56.1389 31.4300 176.3656 57 T 4.1014 8.3624 113.9735 61.9188 69.5086 175.1391 58 E 4.1155 8.9714 123.0654 58.3956 29.6070 177.4840 59 T 4.3144 7.5807 108.1238 60.9901 69.0789 174.6124 60 K 3.9392 8.5348 125.7036 58.4005 32.6236 179.0148 61 D 4.2246 7.9061 126.1061 56.3294 41.5991 176.2039 62 F 4.8143 7.8142 116.6591 58.2398 42.9727 174.0318 63 L 3.3392 8.1085 126.2737 55.0624 38.4724 172.3826 64 P 4.2405 0.0000 0.0000 63.5688 33.0220 176.9106 65 G 3.3994 7.9186 106.4897 46.1790 0.0000 173.8958 *67 L 3.9700 7.3478 116.9452 54.3489 43.3100 176.2164 68 D 5.1582 8.9593 122.7478 52.6864 42.2551 177.3102 69 A 4.3859 9.0283 127.0273 53.4969 18.8395 177.1148 70 T 4.6594 7.3730 104.2065 59.3981 72.1449 173.5599 71 A 4.1719 8.4351 126.3111 51.8802 19.4272 175.9916 72 G 3.7866 8.0675 104.6179 45.9556 0.0000 172.8596 73 G 3.7861 7.0634 103.6518 45.8868 0.0000 171.6983 74 V 4.1693 8.0853 120.0943 62.7748 32.3244 177.3235 75 V 3.9929 8.3806 128.3318 62.2115 32.0327 175.9470 76 Q 4.5299 9.2576 126.8739 55.2214 30.1385 175.7123 77 A 4.3418 8.7094 125.3779 54.1969 18.7848 176.9007 78 D 4.4149 9.1535 120.3953 54.7967 40.4207 172.9395 79 E 4.2340 8.0917 117.8285 55.0693 30.4186 176.2681 80 Q 4.1929 8.4480 125.0649 55.6352 30.7122 177.7990 81 L 4.0759 8.4982 123.6382 57.9766 41.8846 179.6989 82 L 3.6543 7.9858 119.7911 57.9264 42.1498 178.2210 83 E 3.8334 8.1567 118.8154 59.3982 29.2178 178.6133 84 S 4.3051 8.5857 114.3205 60.8317 62.4104 175.9009 85 A 3.9712 8.0136 123.5060 55.3182 18.0373 179.8511 86 R 3.7510 8.0050 116.5535 59.1080 29.9909 179.2190 87 R 3.8161 7.9966 118.4725 59.4774 30.0515 178.3254 88 E 3.9048 8.2856 117.9994 59.5088 29.4444 179.1431 89 A 4.0066 8.2489 120.8323 55.3340 18.4340 179.3555 90 E 4.1990 8.1688 119.0096 58.9849 29.5118 178.9242 91 E 4.0038 8.2173 117.8624 59.2796 29.5738 178.7144 92 E 4.2292 8.3679 117.9906 58.0509 30.1164 177.3862 93 L 4.6200 8.1242 115.8625 53.2426 43.6652 177.7093 94 G 4.1474 8.2598 106.6139 46.0101 0.0000 173.3654 95 I 4.4050 7.5419 112.4290 59.1065 39.3502 174.5134 96 A 4.4800 8.2792 124.6850 52.2711 21.8774 176.5510 97 G 3.8462 8.8800 110.1766 45.2526 0.0000 173.3656 98 V 3.9485 7.3439 119.3462 61.0364 32.3088 174.0256 99 P 4.3651 0.0000 0.0000 63.1427 31.7371 175.3025 100 F 5.4641 8.7976 120.8097 55.8060 41.1470 175.0444 101 A 4.5595 9.1455 126.1095 51.5535 20.1269 175.7266 102 E 4.6993 8.7061 120.5079 54.6804 31.4686 175.8836 103 H 4.8285 8.4736 122.4112 55.7001 29.5728 175.4440 104 G 3.8456 8.3189 107.9081 45.6408 0.0000 172.6395 105 Q 5.4670 8.5135 118.9649 54.5754 33.3402 174.3763 106 F 5.1989 9.1023 114.0971 56.0870 41.7048 172.3822 107 Y 4.4243 8.4295 120.7043 55.6539 40.7756 174.5302 108 F 4.5415 7.4561 127.0983 56.4839 43.2479 172.7388 109 E 4.8176 7.0544 124.6049 55.2627 32.7997 173.7857 110 D 4.4522 8.6437 123.1898 52.5142 42.0542 175.5312 111 K 3.9066 8.7817 117.4806 59.5456 31.9784 177.4552 112 N 4.9242 8.4856 114.5513 53.7010 39.7787 174.1624 113 C 4.7309 7.7059 111.3933 57.5084 32.9297 172.7831 114 R 4.9709 8.1308 118.6671 54.4857 33.8638 174.8294 115 V 4.7757 8.3766 123.6027 60.1274 35.4110 173.7480 116 W 4.7887 9.3963 125.9743 55.7399 30.2607 175.4289 117 G 4.1791 8.4835 113.3979 44.5381 0.0000 171.5927 118 A 5.1822 9.3250 126.5379 50.1128 21.4693 175.3493 119 L 5.2346 8.6740 125.0329 53.6262 44.2151 175.3888 120 F 5.5819 9.6055 124.3201 55.8789 43.8609 173.6457 121 S 5.1879 9.1604 113.7601 57.4190 66.8513 172.5536 122 C 5.0537 8.9283 114.3143 57.2338 33.3080 172.6872 123 V 5.2969 8.2964 120.0838 60.7860 32.4361 174.8084 124 S 4.6687 8.7912 121.5102 56.8719 65.6733 172.9626 125 H 5.0992 8.9290 121.6535 55.5361 29.1706 175.8954 126 G 2.5532 7.4068 109.0119 43.4023 0.0000 172.1390 127 P 4.1532 0.0000 0.0000 62.3922 31.9046 175.6244 128 F 4.9135 8.3635 118.4036 55.7293 40.9710 175.0464 129 A 4.6511 8.7784 128.1804 50.5370 19.5387 176.1398 130 L 4.7545 8.4537 121.0779 54.6027 44.1510 176.4375 131 Q 4.7421 8.2806 119.5656 53.8702 30.9479 176.6608 132 E 4.2560 9.2090 122.8364 58.6182 29.5766 177.1777 133 D 4.6120 7.9108 117.2330 54.8534 42.2917 175.7445 134 E 4.5399 8.8810 116.8108 57.9717 31.7263 176.2713 135 V 4.8675 7.3958 108.5308 59.7694 35.5809 174.9998 136 S 4.6766 8.5007 116.1856 58.9001 64.6216 173.7298 137 E 4.7355 7.6206 119.3926 55.2922 32.6462 174.1411 138 V 4.8382 8.2303 117.9681 59.8666 35.4543 174.5614 139 C 4.6702 8.4710 122.6430 57.7882 35.4559 172.7921 140 W 5.0601 8.8187 126.0307 56.4867 29.6001 175.6767 141 L 5.1347 9.3327 124.6678 52.8257 45.8771 176.6360 142 T 4.5348 8.8930 112.2505 60.8570 69.7169 173.8705 143 P 4.2292 0.0000 0.0000 65.7456 31.3913 178.6387 144 E 3.9432 8.2514 116.9733 59.7827 29.1990 179.2813 145 E 4.0365 8.0145 116.8896 59.1899 29.7825 179.0779 146 I 3.6472 7.8006 119.9013 64.7965 36.9547 178.4536 147 T 3.7377 7.7844 114.8852 66.7099 68.3708 176.3447 148 A 4.1974 7.8540 120.9238 53.9517 18.5654 178.1258 149 R 4.7170 7.7341 117.0230 55.9414 31.1209 178.2702 150 C 4.1998 8.2715 115.8546 61.4268 29.7343 175.4129 151 D 4.4863 8.1104 118.8135 56.7361 40.4934 176.8810 152 E 4.1634 8.3918 117.1019 57.0491 29.8821 176.3813 153 F 4.8746 7.6986 117.9570 55.0896 41.5870 175.6885 154 T 3.9657 8.8215 115.0946 61.1278 69.2756 173.8399 155 P 4.2490 0.0000 0.0000 65.6588 31.3674 178.4112 156 D 3.3700 7.4722 118.8965 55.9352 39.3416 178.5925 157 S 4.2642 7.5974 116.1610 61.0247 63.0244 176.4534 158 L 3.8309 7.6887 122.2854 57.2975 41.2147 179.3651 159 K 3.6573 7.6323 118.9837 59.1825 32.0579 178.5166 160 A 3.0934 7.1575 120.9548 54.8958 18.0013 179.4063 161 L 3.8894 7.5503 116.9013 58.2016 42.2674 178.5149 162 A 4.0957 7.7356 119.5059 55.3137 18.3248 179.2693 163 L 4.0555 8.0102 117.6902 57.3957 41.6498 180.3753 164 W 4.0803 8.2075 126.8041 57.5282 30.4083 177.4799 *166 K 4.1183 8.0402 117.0580 55.4757 33.2284 174.6233 167 R 4.1168 6.8698 116.6351 53.5670 32.9642 174.8424 168 N 3.4217 7.7109 121.6818 53.2833 40.5299 174.4333 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 E 8.30 4.32 0.00 2.16 2.18 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 2.25 2.30 0.00 3 Q 8.48 3.88 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 4 R 8.83 4.00 0.00 2.04 1.97 0.00 3.37 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 5 R 7.35 3.92 0.00 2.04 1.97 0.00 3.12 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 6 L 7.65 4.04 0.00 1.81 1.77 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.45 4.42 1.34 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 0.00 0.00 8 S 7.63 4.92 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 9 T 8.03 4.10 4.39 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 1.30 0.00 0.00 10 E 8.34 4.51 0.00 2.03 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 2.39 2.49 0.00 11 W 8.01 5.09 0.00 3.49 3.21 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 12 V 8.94 4.87 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 0.75 0.00 0.00 0.92 0.00 0.00 13 D 8.88 4.96 0.00 2.63 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 14 I 8.91 4.73 1.93 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 1.29 0.92 0.96 0.00 0.00 15 V 8.48 5.04 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 0.80 0.00 0.00 1.18 0.00 0.00 16 N 8.65 4.80 0.00 2.98 3.01 0.00 0.00 7.21 7.25 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 17 E 8.74 3.97 0.00 1.98 2.03 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 2.17 2.30 0.00 18 E 8.35 4.32 0.00 2.04 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 2.26 2.34 0.00 19 N 7.86 3.99 0.00 1.44 2.02 0.00 0.00 6.97 7.24 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 20 E 8.10 4.58 0.00 2.05 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 2.17 2.29 0.00 21 V 8.30 4.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 22 I 8.45 4.60 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 1.34 0.89 0.96 0.00 0.00 23 A 7.42 4.53 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 24 Q 8.84 5.23 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.64 0.00 25 A 9.19 4.99 1.12 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 0.00 0.00 26 S 7.10 3.13 0.00 3.19 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 27 R 8.54 3.76 0.00 1.78 1.87 0.00 3.20 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 28 E 8.05 3.96 0.00 1.99 1.78 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 2.30 2.26 0.00 29 Q 7.70 4.25 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.17 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 *31 R 8.26 4.02 0.00 1.95 1.92 0.00 2.89 0.00 0.00 2.86 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 32 A 8.07 3.95 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 33 Q 7.78 4.43 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 34 C 7.72 3.93 0.00 3.06 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 35 L 7.84 4.16 0.00 1.67 1.61 0.91 1.02 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 36 R 8.57 4.52 0.00 2.01 2.12 0.00 3.63 0.00 0.00 3.59 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 37 H 8.92 5.32 0.00 3.26 3.38 0.00 5.28 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.72 5.34 0.00 1.86 1.95 0.00 3.13 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 39 A 8.97 5.26 1.18 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 40 T 8.72 5.22 4.44 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 1.43 0.00 0.00 41 Y 9.33 4.95 0.00 3.22 3.02 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 42 I 8.87 4.80 1.67 0.00 0.00 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 0.80 0.84 0.27 0.00 0.00 43 V 8.54 3.73 0.99 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 -0.32 0.00 0.00 0.57 0.00 0.00 44 V 8.11 4.54 1.82 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 0.84 0.00 0.00 0.81 0.00 0.00 45 H 9.39 5.88 0.00 3.48 3.19 0.00 5.50 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.09 4.49 0.00 2.28 1.54 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 47 G 7.99 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 *49 G 7.95 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.63 5.06 0.00 1.92 1.98 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.39 7.81 51 I 9.10 5.18 1.91 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 1.22 1.16 0.82 0.00 0.00 52 L 8.78 3.92 0.00 0.27 0.84 -0.67 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.63 4.40 2.25 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 1.00 0.00 0.00 1.10 0.00 0.00 54 Q 8.78 4.90 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.64 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 55 R 8.81 4.45 0.00 1.73 1.71 0.00 3.03 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 56 R 8.45 4.34 0.00 1.79 1.78 0.00 3.27 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 57 T 8.36 4.10 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 1.28 0.00 0.00 58 E 8.97 4.12 0.00 1.95 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 2.28 2.25 0.00 59 T 7.58 4.31 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 60 K 8.53 3.94 0.00 2.14 1.72 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 61 D 7.91 4.22 0.00 2.82 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 62 F 7.81 4.81 0.00 2.86 2.87 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 63 L 8.11 3.34 0.00 1.26 1.33 0.54 0.79 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.06 3.79 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 0.00 0.00 0.00 74 V 8.09 4.17 2.05 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 0.76 0.00 0.00 0.86 0.00 0.00 75 V 8.38 3.99 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 1.09 0.00 0.00 1.00 0.00 0.00 76 Q 9.26 4.53 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.34 0.00 77 A 8.71 4.34 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 78 D 9.15 4.41 0.00 2.77 2.71 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 79 E 8.09 4.23 0.00 2.17 1.82 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 2.31 2.29 0.00 80 Q 8.45 4.19 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 81 L 8.50 4.08 0.00 1.91 2.05 1.02 0.62 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 82 L 7.99 3.65 0.00 1.89 1.69 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.16 3.83 0.00 2.05 2.14 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 2.36 2.35 0.00 84 S 8.59 4.31 0.00 4.07 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 85 A 8.01 3.97 0.94 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 0.00 0.00 0.00 0.00 0.00 86 R 8.00 3.75 0.00 1.85 1.78 0.00 2.88 0.00 0.00 2.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.41 0.00 87 R 8.00 3.82 0.00 1.95 2.10 0.00 3.20 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 88 E 8.29 3.90 0.00 2.17 1.95 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 2.48 2.44 0.00 89 A 8.25 4.01 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.17 4.20 0.00 2.23 1.95 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 2.32 2.38 0.00 91 E 8.22 4.00 0.00 2.12 1.99 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 2.34 2.54 0.00 92 E 8.37 4.23 0.00 1.92 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 2.29 2.45 0.00 93 L 8.12 4.62 0.00 1.86 1.78 0.69 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.26 4.15 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 0.00 0.00 0.00 95 I 7.54 4.40 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 1.18 0.00 0.00 96 A 8.28 4.48 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 97 G 8.88 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 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F 9.10 5.20 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.43 4.42 0.00 1.43 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 0.00 108 F 7.46 4.54 0.00 3.16 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 0.00 109 E 7.05 4.82 0.00 1.65 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 2.04 2.17 0.00 110 D 8.64 4.45 0.00 2.83 2.55 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 0.00 111 K 8.78 3.91 0.00 1.78 1.97 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.55 7.81 112 N 8.49 4.92 0.00 3.05 3.32 0.00 0.00 6.84 7.85 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 0.00 113 C 7.71 4.73 0.00 3.06 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 0.00 114 R 8.13 4.97 0.00 1.79 1.93 0.00 3.39 0.00 0.00 3.47 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 115 V 8.38 4.78 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 0.79 0.00 0.00 0.99 0.00 0.00 116 W 9.40 4.79 0.00 3.38 3.15 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 0.00 117 G 8.48 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 0.00 118 A 9.33 5.18 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 0.00 119 L 8.67 5.23 0.00 2.06 1.90 1.11 0.84 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 0.00 120 F 9.61 5.58 0.00 2.79 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 0.00 121 S 9.16 5.19 0.00 3.76 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 0.00 122 C 8.93 5.05 0.00 3.21 2.95 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 0.00 123 V 8.30 5.30 2.09 0.00 0.00 0.00 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 0.83 0.00 0.00 124 S 8.79 4.67 0.00 4.03 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 0.00 125 H 8.93 5.10 0.00 3.14 3.27 0.00 5.97 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 0.00 126 G 7.41 2.55 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 0.00 0.00 0.00 0.00 127 P 0.00 4.15 0.00 1.98 1.93 0.00 3.52 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 128 F 8.36 4.91 0.00 3.01 2.87 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 0.00 129 A 8.78 4.65 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 0.00 130 L 8.45 4.75 0.00 1.54 1.58 0.89 0.96 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 0.00 131 Q 8.28 4.74 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 132 E 9.21 4.26 0.00 2.06 2.09 0.00 0.00 0.00 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 2.25 0.00 133 D 7.91 4.61 0.00 2.63 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 0.00 134 E 8.88 4.54 0.00 1.91 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 2.19 2.52 0.00 135 V 7.40 4.87 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 0.71 0.00 0.00 0.87 0.00 0.00 136 S 8.50 4.68 0.00 3.80 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 0.00 137 E 7.62 4.74 0.00 1.97 1.69 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 0.00 2.20 2.27 0.00 138 V 8.23 4.84 1.63 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 0.50 0.00 0.00 0.72 0.00 0.00 139 C 8.47 4.67 0.00 2.92 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 0.00 140 W 8.82 5.06 0.00 3.26 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 0.00 141 L 9.33 5.13 0.00 1.61 1.58 1.10 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.89 4.53 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 143 P 0.00 4.23 0.00 2.20 2.18 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 144 E 8.25 3.94 0.00 2.06 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 2.41 2.48 0.00 145 E 8.01 4.04 0.00 2.13 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 2.38 2.38 0.00 146 I 7.80 3.65 1.77 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 1.33 0.66 -0.04 0.00 0.00 147 T 7.78 3.74 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 1.17 0.00 0.00 148 A 7.85 4.20 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 0.00 149 R 7.73 4.72 0.00 2.21 2.22 0.00 3.19 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 150 C 8.27 4.20 0.00 3.10 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 0.00 151 D 8.11 4.49 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 0.00 152 E 8.39 4.16 0.00 1.95 1.75 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 2.28 2.28 0.00 153 F 7.70 4.87 0.00 3.16 2.94 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 0.00 0.00 0.00 154 T 8.82 3.97 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 155 P 0.00 4.25 0.00 2.43 2.43 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 156 D 7.47 3.37 0.00 2.62 2.14 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 0.00 157 S 7.60 4.26 0.00 4.38 4.31 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 0.00 158 L 7.69 3.83 0.00 1.82 1.63 0.97 0.22 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 0.00 159 K 7.63 3.66 0.00 1.67 1.52 0.00 1.84 0.00 0.00 1.98 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.87 1.25 7.81 160 A 7.16 3.09 1.11 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 0.00 161 L 7.55 3.89 0.00 1.57 1.76 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.74 4.10 1.27 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 0.00 0.00 163 L 8.01 4.06 0.00 1.60 1.66 0.59 0.77 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 0.00 164 W 8.21 4.08 0.00 3.31 3.33 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 *166 K 8.04 4.12 0.00 1.85 2.05 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.38 7.81 167 R 6.87 4.12 0.00 1.68 1.71 0.00 3.22 0.00 0.00 3.16 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 168 N 7.71 3.42 0.00 2.25 2.78 0.00 0.00 7.23 7.96 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 * Residues marked with a * may have inaccurate shift predictions.