NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.5002 8.1693 120.6416 55.1169 43.1222 175.6023 8 H 4.8857 8.2601 115.2576 53.5252 31.5113 171.4974 9 K 4.4780 9.5035 121.9676 56.4443 33.4483 177.3067 10 E 5.0458 9.3078 123.1811 53.5911 33.8089 173.6561 11 P 4.7963 0.0000 0.0000 63.3771 32.2184 175.1490 12 A 4.9278 8.1465 121.9538 51.5427 22.9299 175.7020 13 T 4.6449 8.6581 115.2784 61.2647 72.6472 173.6100 14 L 4.2189 8.6964 128.2119 55.8948 42.2259 175.8181 15 I 4.3175 8.6293 127.2393 62.5049 38.6709 176.1470 16 K 4.4949 7.5229 119.9184 55.2807 35.3607 174.4302 17 A 4.4173 8.7314 130.1257 52.1665 18.5074 175.3092 18 I 4.3404 7.5490 118.6408 61.4477 40.8402 178.6301 19 D 4.6125 7.5028 124.4296 52.6674 42.0059 174.8415 20 G 4.0361 9.4188 106.5763 48.2528 0.0000 174.0479 21 D 4.9496 8.2578 117.4086 52.3862 40.2596 174.9357 22 T 5.7877 8.2561 109.2729 59.5476 72.5897 173.0783 23 V 4.6709 8.1531 120.4166 60.5884 35.0967 172.4348 24 K 5.0071 9.0841 124.9900 55.3725 33.5312 175.2559 25 L 5.3710 9.2815 127.0546 53.1805 46.6683 175.0227 26 M 4.9188 9.2377 121.5052 54.7836 34.1189 174.3371 27 Y 4.9793 9.0134 127.0815 55.9848 42.1967 175.1388 28 K 3.5711 9.5865 127.3367 57.4279 29.6543 176.6908 29 G 3.9804 8.6124 106.2008 45.1406 0.0000 173.8060 30 Q 4.6601 7.7691 118.5460 53.4210 30.5079 173.0186 31 P 4.9858 0.0000 0.0000 62.8507 31.9867 175.5408 32 M 4.9430 9.6923 123.4676 54.0618 37.2979 173.9972 33 T 4.9610 8.3218 116.9329 62.3072 70.8517 173.6460 34 F 5.0543 9.4008 125.7256 55.6607 41.4921 174.5857 35 R 4.9270 9.0516 123.7211 54.1510 32.1208 175.0159 36 L 4.5203 8.8133 127.8181 54.9140 42.3536 177.4149 37 L 3.9113 8.4633 124.6288 55.4472 42.9192 177.6570 38 L 3.7429 8.8108 119.9182 55.4854 39.5973 174.0866 39 V 5.0114 7.3659 109.2877 59.6573 35.5992 175.1928 40 D 4.8840 9.2222 123.3656 52.9826 43.4471 174.9519 41 T 4.8429 8.6494 114.4092 59.1866 71.5435 172.6618 42 P 4.5175 0.0000 0.0000 62.4353 32.3295 176.2994 43 E 3.9751 9.1416 122.6996 56.9973 30.4664 177.8357 *50 F 4.6775 8.6669 122.7989 58.6302 40.9052 176.6888 51 N 4.7046 8.0627 114.9352 53.4891 38.8732 174.2942 52 E 4.6151 7.4991 117.8313 53.3280 32.8312 174.7717 53 K 3.6739 8.2548 123.4145 58.2622 32.5203 176.5490 54 Y 4.1471 7.8228 121.5692 59.3811 35.8603 171.3386 55 G 4.0822 8.2789 109.8012 47.0448 0.0000 174.4005 56 P 4.3138 0.0000 0.0000 65.0725 31.1589 178.6424 57 E 4.0124 8.1536 116.7847 59.3733 29.6474 179.0197 58 A 4.0561 8.1774 120.7847 55.3109 18.0645 179.9270 59 S 4.1610 8.5352 113.6024 61.8180 63.0027 176.8464 60 A 4.1567 8.4641 123.6739 54.9277 18.0205 179.3298 61 F 4.0265 8.6082 119.7606 61.8101 39.4775 177.4958 62 T 3.8774 8.1810 109.0871 64.5084 68.5364 176.1231 63 K 3.8362 8.2261 122.4767 59.1917 32.2189 178.5748 64 K 3.8256 8.0138 119.6396 59.6663 31.9131 178.2714 65 M 3.8085 7.6075 117.0388 58.7239 32.4787 178.0053 66 V 3.7623 8.0305 118.5116 65.7972 31.5618 177.8751 67 E 4.0636 8.5723 117.7579 58.4955 29.3210 177.9406 68 N 4.7378 7.6284 113.4910 51.8285 39.3693 174.4590 69 A 4.5935 7.0795 124.2892 51.0294 19.8555 177.9438 70 K 4.0274 9.0812 124.8609 58.3147 32.7730 176.9349 71 K 4.5774 8.7165 121.1829 54.5784 34.5008 174.7907 72 I 4.9973 8.3563 127.9555 59.6907 39.8273 174.5007 73 E 4.9559 9.4771 125.6555 54.4915 33.9322 174.7822 74 V 4.5832 8.9302 122.3920 60.9773 34.7132 174.0013 75 E 5.0729 8.9621 128.0375 54.3200 31.9374 174.9102 76 F 4.6284 8.7460 125.7365 57.6012 40.1463 175.4816 77 D 4.9683 8.5289 121.1749 52.9641 43.1430 175.9091 78 K 4.3199 9.3689 118.5087 58.0349 33.6305 177.9709 79 G 4.6547 7.7521 111.3472 44.2117 0.0000 173.2115 80 Q 4.0740 8.5843 124.0157 56.4235 29.8037 177.1748 81 R 4.4153 8.5922 123.4709 57.4806 30.9079 176.1986 82 T 5.6037 7.7614 106.2487 58.7423 71.9930 173.6119 83 D 4.8580 8.2916 123.3099 51.9579 41.7815 176.7442 84 K 3.9347 8.4736 117.1170 60.1388 32.4730 177.2444 85 Y 4.2036 8.0331 114.8774 58.3332 38.1638 176.1210 86 G 3.9393 8.2578 108.4455 45.1641 0.0000 173.7780 87 R 4.2331 8.1461 119.3295 55.3826 31.5962 176.3554 88 G 3.5120 8.4868 110.9603 45.9667 0.0000 172.5414 89 L 5.2224 9.2683 124.1903 52.4260 43.2988 175.5608 90 A 4.4363 8.2003 124.2443 51.0731 23.3065 173.7783 91 Y 4.7080 8.6430 117.3784 57.0626 39.6324 174.7386 92 E 4.9068 9.2369 125.8201 54.6889 32.1249 173.9634 93 Y 5.1336 9.2045 124.2212 56.0982 41.4883 174.5197 94 A 4.9087 9.1694 126.1750 50.0146 21.1155 176.1590 95 D 4.0857 10.0072 124.9147 56.3361 38.8798 175.7984 96 G 3.9797 8.4603 106.0815 45.2438 0.0000 173.5890 97 K 4.5077 7.6915 120.2283 54.8978 33.5946 175.4324 98 M 4.1054 8.5297 123.5138 55.0286 33.2464 177.0660 99 V 3.6168 8.8671 127.1367 66.0033 31.6417 177.6673 100 N 4.3126 8.0234 115.8112 56.4826 38.3987 176.8189 101 E 3.9180 8.0822 119.7617 59.1452 29.7595 178.2957 102 A 4.0868 8.2644 121.0001 55.2017 18.4607 179.6299 103 L 3.3822 8.0759 117.2664 57.8944 41.7737 179.9088 104 V 3.8664 7.4266 119.5259 65.5381 31.2314 177.9917 105 R 4.1158 8.0878 117.6635 59.2031 29.9952 177.6280 106 Q 4.2681 7.5405 115.0029 55.2290 29.2973 176.0843 107 G 3.8904 8.0664 108.7806 46.7977 0.0000 174.6553 108 L 4.4581 7.4703 116.5360 53.6947 42.3506 176.2059 109 A 4.5909 7.3125 118.8886 51.1678 22.4029 175.8091 110 K 4.9294 8.4600 119.0430 54.2816 35.6112 176.0728 111 V 4.2540 9.0767 123.3494 63.1939 31.9593 175.8395 112 A 4.6744 8.9048 130.1534 50.5514 20.5184 176.3001 113 Y 4.1519 8.5330 120.1105 57.2188 39.5027 175.8640 114 V 3.5992 7.6014 126.0417 63.0100 32.4073 174.4714 115 Y 4.4856 8.6413 127.8637 56.6081 40.4113 175.4171 116 K 3.5098 9.1901 128.9048 57.4620 29.4186 176.1873 117 G 3.9079 7.8124 103.0345 45.9852 0.0000 173.4741 118 N 4.8366 7.7998 118.5683 51.9576 37.0820 174.1981 119 N 5.1178 8.0546 114.4566 52.2742 39.0687 177.0796 120 T 3.8273 8.4002 117.2717 67.4756 68.7273 174.8915 121 H 4.8530 8.0731 116.4343 55.8039 29.1091 176.8695 122 E 4.0004 8.3158 123.3482 59.6250 29.3944 178.8587 123 Q 3.9681 8.0239 117.5426 58.8451 28.8916 178.2411 124 L 3.9588 7.9096 120.8335 58.2658 42.0529 178.9532 125 L 4.0338 8.0774 118.8337 57.8870 41.5552 179.7050 126 R 3.9441 8.3787 118.5043 58.8448 30.0045 179.2210 127 K 3.9652 8.1427 118.7666 59.7454 32.8654 179.2219 128 A 3.9922 7.9048 121.9810 54.6771 18.1816 179.2783 129 E 3.8884 8.5002 117.8878 59.4375 29.7199 178.7507 130 A 3.7130 7.9791 120.8790 55.2787 18.3728 179.4337 131 Q 3.7981 7.9236 117.2235 59.1354 29.0453 178.2547 132 A 3.9984 7.8110 121.4647 54.9312 18.4369 179.5570 133 K 3.2583 7.8590 118.5262 59.2736 31.9004 179.0347 134 K 3.8905 7.9242 119.0864 59.0395 32.1811 177.6890 135 E 4.2693 7.9048 116.1120 55.2258 29.7559 176.1410 136 K 4.0785 8.0840 118.2695 57.2261 30.5260 175.1192 137 L 4.3709 8.2836 118.7386 55.7447 43.9615 178.6332 138 N 3.5664 9.5109 119.3664 54.1229 38.1087 176.1238 139 I 3.2586 4.0000 121.9186 63.3536 38.4747 177.6147 140 W 4.8606 7.9122 120.4672 56.4018 29.2807 177.7809 141 S 4.4924 8.1072 113.8222 59.8439 62.4112 174.8215 142 E 4.6230 8.0228 119.2172 56.2089 29.7537 175.4755 143 D 4.5986 8.0659 125.1182 54.7281 40.8465 176.1859 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 7 L 8.17 4.50 0.00 1.80 1.78 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.26 4.89 0.00 3.22 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.50 4.48 0.00 1.58 1.76 0.00 1.39 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.07 1.25 7.81 10 E 9.31 5.05 0.00 2.15 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 0.00 2.43 2.36 0.00 11 P 0.00 4.80 0.00 2.10 2.08 0.00 3.89 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 12 A 8.15 4.93 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 13 T 8.66 4.64 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 1.22 0.00 0.00 14 L 8.70 4.22 0.00 1.62 1.57 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.63 4.32 1.96 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 1.15 0.84 0.93 0.00 0.00 16 K 7.52 4.49 0.00 1.79 1.59 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.40 7.81 17 A 8.73 4.42 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 18 I 7.55 4.34 1.96 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 1.53 0.98 0.88 0.00 0.00 19 D 7.50 4.61 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.42 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 0.00 0.00 0.00 21 D 8.26 4.95 0.00 2.87 2.85 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 22 T 8.26 5.79 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 1.17 0.00 0.00 23 V 8.15 4.67 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 0.87 0.00 0.00 1.00 0.00 0.00 24 K 9.08 5.01 0.00 1.91 1.94 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.50 7.81 25 L 9.28 5.37 0.00 1.70 1.59 0.41 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.24 4.92 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 27 Y 9.01 4.98 0.00 3.34 3.10 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 28 K 9.59 3.57 0.00 1.45 1.65 0.00 1.43 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.04 0.40 7.81 29 G 8.61 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 30 Q 7.77 4.66 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.64 0.00 31 P 0.00 4.99 0.00 2.00 2.08 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 32 M 9.69 4.94 0.00 1.61 2.02 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.51 0.00 33 T 8.32 4.96 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 1.19 0.00 0.00 34 F 9.40 5.05 0.00 2.92 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 35 R 9.05 4.93 0.00 1.80 1.71 0.00 3.33 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 36 L 8.81 4.52 0.00 1.64 1.60 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.46 3.91 0.00 0.98 1.25 0.36 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.81 3.74 0.00 2.00 1.83 1.16 1.00 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 39 V 7.37 5.01 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 0.83 0.00 0.00 0.94 0.00 0.00 40 D 9.22 4.88 0.00 2.57 2.54 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 41 T 8.65 4.84 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 42 P 0.00 4.52 0.00 2.05 2.09 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 43 E 9.14 3.98 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 *50 F 8.67 4.68 0.00 3.11 3.12 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 51 N 8.06 4.70 0.00 2.76 2.77 0.00 0.00 6.59 7.66 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 52 E 7.50 4.62 0.00 1.85 1.88 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 2.13 2.14 0.00 53 K 8.25 3.67 0.00 1.51 1.54 0.00 1.15 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.99 0.30 7.81 54 Y 7.82 4.15 0.00 3.19 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 55 G 8.28 4.08 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 0.00 0.00 0.00 56 P 0.00 4.31 0.00 2.06 1.95 0.00 3.43 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 1.79 1.48 0.00 57 E 8.15 4.01 0.00 2.32 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 2.53 2.51 0.00 58 A 8.18 4.06 1.42 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 0.00 0.00 0.00 59 S 8.54 4.16 0.00 4.30 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 60 A 8.46 4.16 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 61 F 8.61 4.03 0.00 3.32 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 62 T 8.18 3.88 4.29 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 1.42 0.00 0.00 63 K 8.23 3.84 0.00 1.96 2.06 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.53 7.81 64 K 8.01 3.83 0.00 1.91 1.83 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.40 7.81 65 M 7.61 3.81 0.00 1.85 1.66 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 66 V 8.03 3.76 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 0.95 0.00 0.00 0.96 0.00 0.00 67 E 8.57 4.06 0.00 2.00 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 2.33 2.44 0.00 68 N 7.63 4.74 0.00 2.74 2.80 0.00 0.00 6.93 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.08 4.59 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 70 K 9.08 4.03 0.00 1.74 1.99 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.37 7.81 71 K 8.72 4.58 0.00 1.83 1.75 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.37 7.81 72 I 8.36 5.00 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.84 0.83 0.00 0.00 73 E 9.48 4.96 0.00 1.90 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 2.21 2.22 0.00 74 V 8.93 4.58 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 0.01 0.00 0.00 0.07 0.00 0.00 75 E 8.96 5.07 0.00 2.25 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 2.47 2.53 0.00 76 F 8.75 4.63 0.00 3.02 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 77 D 8.53 4.97 0.00 2.71 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 78 K 9.37 4.32 0.00 1.88 1.97 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.51 7.81 79 G 7.75 4.65 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 0.00 0.00 0.00 80 Q 8.58 4.07 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.74 0.00 81 R 8.59 4.42 0.00 1.71 1.51 0.00 2.78 0.00 0.00 2.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 82 T 7.76 5.60 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 1.15 0.00 0.00 83 D 8.29 4.86 0.00 2.83 2.60 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 84 K 8.47 3.93 0.00 1.62 1.88 0.00 1.21 0.00 0.00 1.56 0.00 0.00 2.59 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.17 0.39 7.81 85 Y 8.03 4.20 0.00 3.03 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 86 G 8.26 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 87 R 8.15 4.23 0.00 2.01 1.84 0.00 3.05 0.00 0.00 3.60 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 88 G 8.49 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.27 5.22 0.00 1.56 1.63 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.20 4.44 0.81 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 91 Y 8.64 4.71 0.00 2.99 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 92 E 9.24 4.91 0.00 1.87 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 93 Y 9.20 5.13 0.00 2.81 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 94 A 9.17 4.91 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 95 D 10.01 4.09 0.00 2.77 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 96 G 8.46 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 97 K 7.69 4.51 0.00 1.98 1.77 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.54 7.81 98 M 8.53 4.11 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.31 0.00 99 V 8.87 3.62 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 1.06 0.00 0.00 0.93 0.00 0.00 100 N 8.02 4.31 0.00 2.88 2.92 0.00 0.00 6.77 7.66 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 0.00 101 E 8.08 3.92 0.00 1.98 2.04 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 2.38 2.36 0.00 102 A 8.26 4.09 1.67 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 0.00 0.00 103 L 8.08 3.38 0.00 1.89 1.63 1.03 0.45 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 0.00 104 V 7.43 3.87 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 1.27 0.00 0.00 1.01 0.00 0.00 105 R 8.09 4.12 0.00 1.90 2.15 0.00 3.35 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.54 4.27 0.00 1.68 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.31 0.00 0.00 0.00 0.00 0.00 2.43 2.17 0.00 107 G 8.07 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 0.00 108 L 7.47 4.46 0.00 1.31 1.50 0.53 0.34 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 0.00 109 A 7.31 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.46 4.93 0.00 1.72 1.80 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.18 1.07 7.81 111 V 9.08 4.25 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 0.81 0.00 0.00 1.00 0.00 0.00 112 A 8.90 4.67 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 0.00 113 Y 8.53 4.15 0.00 2.93 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 0.00 114 V 7.60 3.60 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 0.78 0.00 0.00 0.83 0.00 0.00 115 Y 8.64 4.49 0.00 3.13 2.86 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 0.00 116 K 9.19 3.51 0.00 1.47 1.52 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.00 0.21 7.81 117 G 7.81 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.80 4.84 0.00 2.93 2.82 0.00 0.00 6.68 7.94 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 0.00 119 N 8.05 5.12 0.00 3.07 2.96 0.00 0.00 6.10 7.22 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 0.00 120 T 8.40 3.83 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 1.07 0.00 0.00 121 H 8.07 4.85 0.00 2.88 3.07 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.32 4.00 0.00 2.17 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 2.33 2.39 0.00 123 Q 8.02 3.97 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.91 3.96 0.00 1.74 1.84 0.96 0.54 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 0.00 125 L 8.08 4.03 0.00 1.95 1.75 1.08 0.73 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 0.00 126 R 8.38 3.94 0.00 1.98 1.97 0.00 3.29 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 127 K 8.14 3.97 0.00 2.02 2.18 0.00 1.19 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.60 7.81 128 A 7.90 3.99 1.42 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 0.00 0.00 0.00 129 E 8.50 3.89 0.00 2.20 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 2.20 2.65 0.00 130 A 7.98 3.71 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 0.00 131 Q 7.92 3.80 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 132 A 7.81 4.00 1.55 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 0.00 133 K 7.86 3.26 0.00 0.79 1.36 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.02 0.99 7.81 134 K 7.92 3.89 0.00 1.83 1.89 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 135 E 7.90 4.27 0.00 2.11 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 2.30 2.55 0.00 136 K 8.08 4.08 0.00 1.97 1.92 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.55 7.81 137 L 8.28 4.37 0.00 1.78 1.70 1.04 0.84 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 0.00 138 N 9.51 3.57 0.00 2.55 1.42 0.00 0.00 6.89 7.21 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 0.00 139 I 4.00 3.26 1.25 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.36 0.45 0.00 0.00 140 W 7.91 4.86 0.00 3.37 3.27 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 0.00 141 S 8.11 4.49 0.00 4.01 4.14 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 0.00 142 E 8.02 4.62 0.00 2.00 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 2.26 2.35 0.00 143 D 8.07 4.60 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.