NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.2282 8.4444 120.2263 55.9386 31.7248 175.3079 9 M 4.2042 7.9988 118.6482 53.7710 33.0857 173.1306 10 N 5.1087 8.3108 123.6221 52.1446 42.6602 172.8078 11 Y 5.4756 7.5356 117.9233 56.1595 41.3123 173.4768 12 E 4.8712 9.5198 117.9828 54.3777 33.2474 174.3556 13 E 4.2303 9.2679 124.4409 56.7175 29.5936 176.1082 14 V 4.4344 8.4351 121.0732 62.8686 33.8118 175.5675 15 F 4.9468 7.0868 113.0084 56.4400 41.0515 172.9899 16 S 5.3329 9.5513 114.3708 56.8858 67.2013 173.6033 17 I 5.1506 9.1492 122.9097 60.0551 40.9078 174.4460 18 T 4.8929 8.8369 123.9577 62.1855 70.3300 173.6130 19 I 4.8240 8.8734 128.1194 59.7857 40.2155 174.7612 20 T 4.7728 8.8423 123.4857 62.1364 70.2118 174.2260 21 V 4.7843 8.2977 119.2613 59.5762 34.5313 175.0625 22 D 4.7334 8.8624 123.7420 52.9350 42.5761 176.1258 23 K 4.1634 8.4247 120.2639 55.4618 32.6116 175.5705 24 P 4.4644 0.0000 0.0000 63.2295 32.2856 176.5247 25 I 4.1614 9.0501 125.2431 59.9350 37.6866 174.5487 26 L 4.2438 8.3370 129.9758 55.3553 42.1170 176.1449 27 I 4.0871 8.9942 128.5847 62.5209 37.7593 176.0666 28 G 4.1047 7.6564 105.8907 46.1597 0.0000 171.0326 29 Q 5.6764 8.7590 119.7813 55.2899 31.9061 173.0587 30 D 4.7179 8.4108 123.0495 52.6872 42.8497 175.1713 31 D 4.8997 8.6724 117.8577 53.5894 39.5445 176.1915 32 I 4.2668 8.1544 119.0273 63.4377 38.8682 177.4982 33 V 3.8230 7.8196 112.4008 62.2092 32.7022 176.0883 34 G 3.8151 8.3576 104.6283 43.7820 0.0000 170.9372 35 R 4.8828 8.6826 121.1979 54.7237 32.2379 176.2794 36 R 5.1839 8.8921 127.9652 54.8956 32.1537 174.8928 37 Q 5.0160 9.2104 123.3951 54.8303 32.8438 173.2207 38 L 5.0792 8.8251 121.1614 53.3381 44.1426 175.4098 39 I 4.6067 8.7880 125.4749 58.9311 39.2199 173.5024 40 P 4.8371 0.0000 0.0000 62.4576 32.7836 175.6495 41 I 4.4287 8.1830 125.1037 60.4614 37.3647 175.9864 42 I 4.0454 8.8470 129.7632 64.0195 37.6126 176.2202 43 S 4.5388 7.3618 113.9107 57.8049 66.4310 173.0282 44 G 4.2696 8.0015 102.6573 45.4820 0.0000 172.2217 45 K 4.9152 8.6617 125.3777 54.3402 34.8690 174.7360 46 V 5.1921 8.7477 127.8336 61.3264 33.9166 174.4873 47 S 5.4722 8.4390 121.2069 56.5452 66.8801 173.4751 48 G 4.3785 8.2263 109.0059 46.0422 0.0000 171.3298 49 N 4.6336 8.8738 118.5211 54.4953 38.6096 173.8644 50 N 4.3252 8.9273 124.1442 53.8400 36.6657 175.5796 51 F 4.5849 8.1614 119.9766 56.8577 40.5644 171.0903 52 N 5.2742 8.1196 121.0557 50.3779 43.2620 174.0271 53 G 4.1492 7.9066 110.9491 45.9803 0.0000 171.5276 54 K 5.1201 7.8683 121.2503 55.0710 36.7660 176.2142 55 V 4.3341 8.4157 121.7145 62.6992 32.1616 175.9544 56 L 4.5233 8.7881 128.1592 53.0503 42.9939 174.8111 57 P 4.3376 0.0000 0.0000 63.5173 31.7341 177.0052 58 G 3.9961 9.0351 107.6133 45.1500 0.0000 173.3895 59 G 4.1440 7.9391 107.2975 45.4323 0.0000 173.4412 60 I 5.2074 8.5884 124.4447 59.7584 42.0480 173.4926 61 D 5.1214 9.2306 127.8928 53.1018 42.6821 174.9218 62 S 5.0280 8.8642 122.2253 57.3053 63.7692 172.7853 63 Q 5.1451 9.3342 126.3656 54.0362 32.8520 174.3841 64 I 4.8821 8.2903 121.7431 59.2622 41.2777 174.2759 65 V 4.4699 8.8306 130.8226 61.6488 32.2503 175.9787 66 R 4.4224 9.2767 128.1228 55.2917 30.7131 176.2948 67 P 4.2263 0.0000 0.0000 65.8318 31.3369 177.7069 68 D 4.4324 7.9581 115.1375 54.0936 39.4837 176.7245 69 G 4.0354 8.0947 108.4587 45.1118 0.0000 174.1206 70 K 4.1252 8.3626 122.6250 56.5663 33.4950 175.0249 71 C 5.0179 9.1564 128.3856 57.9903 33.6690 171.8229 72 E 5.0747 8.9576 126.1477 54.8140 31.4106 174.9662 73 L 5.1561 9.2095 124.1356 53.0113 45.6584 175.8478 74 S 4.9074 9.2665 117.1062 56.9505 65.1548 172.0884 75 A 5.3910 9.1812 129.9639 50.3020 21.9840 175.5569 76 R 4.9832 8.7999 119.8120 54.7931 33.6056 174.3696 77 Y 5.2955 8.3585 120.8513 56.3146 42.0285 173.0511 78 A 5.4215 8.8308 120.5715 50.1170 23.0736 174.9253 79 I 5.0570 8.6673 112.0323 59.0481 41.6926 174.2318 80 R 4.9513 8.7501 123.1637 54.6364 32.9992 174.8665 81 L 4.7985 8.8998 126.8311 53.2688 43.6226 177.3846 82 D 4.3818 8.7854 120.2536 55.2093 39.5348 176.8651 83 D 4.4956 7.9039 118.4443 53.5810 39.8694 177.1680 84 G 3.8521 8.2248 109.1859 44.9706 0.0000 173.6806 85 A 4.2566 8.4295 122.7345 51.5250 19.5911 176.4164 86 A 5.0906 8.4518 123.0124 50.3027 21.8064 176.2296 87 I 4.7395 8.3780 120.6644 59.7616 41.4540 173.7279 88 Y 4.9629 9.0786 128.5336 56.3393 40.7945 174.1155 89 I 4.4662 8.1369 127.0155 59.1741 40.6363 173.7917 90 E 4.7387 8.1871 128.1361 54.1843 31.9802 173.8836 91 N 5.2504 9.1564 125.8586 51.9172 41.9603 172.4935 92 N 5.4164 8.7863 124.2263 51.8967 41.9486 174.3339 93 G 4.2044 8.7608 110.5031 46.0111 0.0000 171.7371 94 I 5.3329 8.5077 112.2064 59.2583 41.6822 174.4210 95 R 5.2302 9.1923 124.1275 54.9621 33.0077 173.9823 96 T 5.1333 9.3001 115.9381 60.0579 72.3728 173.2255 97 V 4.8711 8.2572 115.1950 58.9339 34.9399 174.1971 98 P 4.2008 0.0000 0.0000 65.1799 31.3870 175.7575 *113 P 4.6500 0.0000 0.0000 62.5328 33.2418 178.3300 114 N 4.3203 8.1066 115.2318 55.9754 38.9495 176.4766 115 A 4.0814 8.2054 120.5735 55.5431 18.4257 177.3785 116 Y 4.6451 7.0145 112.2517 58.8785 38.9016 175.2034 117 Y 4.6313 9.2352 124.8166 56.4673 40.9412 174.3646 118 F 5.3645 8.1971 128.7489 57.1303 41.8894 172.6938 119 R 4.9694 8.9543 124.4942 54.5466 34.7611 174.4374 120 T 5.0673 8.8194 111.5567 60.2645 73.2806 172.5000 121 I 4.7725 8.8021 123.3295 58.9737 39.6304 173.3179 122 P 4.8848 0.0000 0.0000 62.0662 33.1246 175.2816 123 T 4.4295 8.3404 118.5042 61.7483 71.3194 173.0843 124 F 5.3201 8.5626 124.0245 55.6192 42.0023 174.4908 125 E 4.7471 9.1103 122.6880 54.6454 32.5517 174.6120 126 T 4.3854 7.9824 115.2143 59.6899 72.5187 172.7604 127 Y 4.8758 8.0465 117.0825 57.1592 39.8511 175.4074 128 S 4.7528 7.8016 112.4001 56.5251 65.2923 173.5341 129 P 4.3341 0.0000 0.0000 65.4529 31.3274 178.7326 130 K 3.9368 7.6278 118.3651 58.6164 32.2564 176.8716 131 Y 4.4894 7.8621 114.4458 57.4822 38.6183 177.5553 132 K 3.9987 7.9459 121.2992 58.6514 32.1225 178.8958 133 W 4.4867 8.5112 116.9219 59.9272 27.4970 177.9696 134 M 3.9223 7.1241 118.7366 57.6521 31.2916 177.3920 135 M 4.5874 7.8134 116.6356 55.4505 32.4502 176.0674 136 N 5.1426 8.0173 115.1485 52.9384 40.1655 173.4206 137 H 5.0018 8.2622 113.8953 54.1092 33.1353 172.5138 138 I 4.5485 7.9623 120.9847 60.5771 38.8169 175.0929 139 F 5.4696 8.8969 123.0089 55.7867 43.0265 174.3401 140 V 4.6429 8.8802 120.7331 61.2365 34.9230 173.6973 141 C 4.9923 8.7739 126.8766 57.7009 34.2181 172.0755 142 C 4.6575 8.7512 123.9666 58.2820 29.4621 172.7651 143 A 4.9154 7.8649 124.5851 49.9200 21.8601 175.1004 144 S 4.6975 8.7070 113.2017 56.5566 66.3850 172.9716 145 R 4.7483 8.8757 126.4355 54.9686 30.5000 174.1024 146 L 4.4415 8.1626 124.0977 56.2694 44.1270 176.3583 *149 N 4.9958 7.5667 114.5765 53.3146 40.8100 173.1964 150 V 4.9443 8.5562 119.3632 60.1596 35.3873 173.5560 151 L 5.0495 8.9354 126.2778 53.3759 44.2544 174.7734 152 L 4.8641 8.9386 126.2866 52.8059 45.0685 175.4063 153 K 4.6329 8.7745 124.0205 54.6131 34.4427 175.2125 154 F 4.8885 8.5974 124.1943 55.8488 41.3980 174.3804 155 Y 5.1832 9.2252 121.0577 56.0211 41.2685 174.5864 156 K 4.1299 9.3744 126.6340 55.6373 33.6477 175.7342 157 I 4.3317 8.4165 129.7868 61.2288 37.8210 176.3513 158 S 4.4378 8.9444 122.9276 58.7514 62.4148 174.2135 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 8 E 8.44 4.23 0.00 1.98 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 2.21 2.25 0.00 9 M 8.00 4.20 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.72 0.00 10 N 8.31 5.11 0.00 2.64 2.59 0.00 0.00 6.64 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.54 5.48 0.00 3.07 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 12 E 9.52 4.87 0.00 2.01 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 2.22 2.30 0.00 13 E 9.27 4.23 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.64 0.00 14 V 8.44 4.43 2.34 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 1.00 0.00 0.00 1.13 0.00 0.00 15 F 7.09 4.95 0.00 3.29 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 16 S 9.55 5.33 0.00 3.78 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 17 I 9.15 5.15 2.14 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 1.54 1.27 1.03 0.00 0.00 18 T 8.84 4.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 19 I 8.87 4.82 1.82 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.65 0.81 0.00 0.00 20 T 8.84 4.77 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 21 V 8.30 4.78 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 0.64 0.00 0.00 0.92 0.00 0.00 22 D 8.86 4.73 0.00 2.63 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 23 K 8.42 4.16 0.00 1.79 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.46 7.81 24 P 0.00 4.46 0.00 1.93 1.99 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 25 I 9.05 4.16 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.91 0.00 0.00 26 L 8.34 4.24 0.00 1.64 1.58 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.99 4.09 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.96 0.91 0.00 0.00 28 G 7.66 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 29 Q 8.76 5.68 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 30 D 8.41 4.72 0.00 2.78 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 31 D 8.67 4.90 0.00 2.79 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 32 I 8.15 4.27 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.91 0.00 0.00 33 V 7.82 3.82 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.96 0.00 0.00 34 G 8.36 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 35 R 8.68 4.88 0.00 1.86 1.79 0.00 3.16 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 36 R 8.89 5.18 0.00 1.96 1.76 0.00 3.18 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 37 Q 9.21 5.02 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 38 L 8.83 5.08 0.00 1.61 1.62 0.93 0.86 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 39 I 8.79 4.61 1.86 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 1.40 1.08 0.94 0.00 0.00 40 P 0.00 4.84 0.00 2.07 1.96 0.00 3.58 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 41 I 8.18 4.43 1.81 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.44 0.79 0.00 0.00 42 I 8.85 4.05 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.91 0.00 0.00 43 S 7.36 4.54 0.00 3.85 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 44 G 8.00 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 0.00 0.00 0.00 0.00 45 K 8.66 4.92 0.00 1.85 1.68 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.37 7.81 46 V 8.75 5.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 47 S 8.44 5.47 0.00 3.95 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.23 4.38 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 0.00 49 N 8.87 4.63 0.00 2.75 2.83 0.00 0.00 7.03 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 50 N 8.93 4.33 0.00 2.95 2.95 0.00 0.00 6.87 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 51 F 8.16 4.58 0.00 3.32 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 52 N 8.12 5.27 0.00 2.83 2.63 0.00 0.00 6.76 7.72 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 53 G 7.91 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 54 K 7.87 5.12 0.00 1.88 1.84 0.00 1.29 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.36 7.81 55 V 8.42 4.33 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 0.84 0.00 0.00 1.00 0.00 0.00 56 L 8.79 4.52 0.00 1.60 1.62 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.34 0.00 2.05 2.00 0.00 3.66 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 2.03 2.09 0.00 58 G 9.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 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 0.00 0.00 0.00 60 I 8.59 5.21 1.93 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 1.16 1.25 0.94 0.00 0.00 61 D 9.23 5.12 0.00 2.71 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 62 S 8.86 5.03 0.00 3.98 3.84 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 0.00 0.00 0.00 63 Q 9.33 5.15 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 64 I 8.29 4.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.36 0.91 0.00 0.00 65 V 8.83 4.47 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.92 0.00 0.00 66 R 9.28 4.42 0.00 2.04 1.83 0.00 3.35 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 67 P 0.00 4.23 0.00 2.03 2.12 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 68 D 7.96 4.43 0.00 2.78 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 69 G 8.09 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 0.00 0.00 0.00 70 K 8.36 4.13 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.41 7.81 71 C 9.16 5.02 0.00 2.98 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 72 E 8.96 5.07 0.00 1.96 1.85 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 2.26 2.28 0.00 73 L 9.21 5.16 0.00 1.60 1.73 0.93 0.52 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 74 S 9.27 4.91 0.00 3.85 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 75 A 9.18 5.39 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.80 4.98 0.00 1.87 2.03 0.00 3.25 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 77 Y 8.36 5.30 0.00 3.12 3.04 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 78 A 8.83 5.42 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 79 I 8.67 5.06 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 1.05 0.00 0.00 80 R 8.75 4.95 0.00 1.79 1.70 0.00 3.02 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 81 L 8.90 4.80 0.00 1.43 1.25 -0.24 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.79 4.38 0.00 2.71 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 83 D 7.90 4.50 0.00 2.83 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 84 G 8.22 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 0.00 0.00 0.00 85 A 8.43 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.45 5.09 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 87 I 8.38 4.74 1.68 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.37 0.86 0.00 0.00 88 Y 9.08 4.96 0.00 3.15 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 89 I 8.14 4.47 0.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.35 0.48 0.00 0.00 90 E 8.19 4.74 0.00 1.78 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 91 N 9.16 5.25 0.00 2.84 2.72 0.00 0.00 6.56 7.05 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 92 N 8.79 5.42 0.00 2.65 2.67 0.00 0.00 6.28 7.50 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 93 G 8.76 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.51 5.33 1.96 0.00 0.00 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 1.29 1.02 0.97 0.00 0.00 95 R 9.19 5.23 0.00 1.12 1.42 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.11 0.00 96 T 9.30 5.13 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 1.28 0.00 0.00 97 V 8.26 4.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.90 0.00 0.00 98 P 0.00 4.20 0.00 2.15 2.16 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 *113 P 0.00 4.65 0.00 2.26 2.21 0.00 3.52 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 114 N 8.11 4.32 0.00 2.72 2.92 0.00 0.00 6.82 7.35 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 0.00 115 A 8.21 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.01 4.65 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 0.00 117 Y 9.24 4.63 0.00 3.11 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 0.00 118 F 8.20 5.36 0.00 2.86 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 0.00 119 R 8.95 4.97 0.00 1.51 1.53 0.00 3.02 0.00 0.00 2.87 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 120 T 8.82 5.07 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 1.12 0.00 0.00 121 I 8.80 4.77 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.98 0.96 0.00 0.00 122 P 0.00 4.88 0.00 1.25 2.08 0.00 3.88 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.14 0.00 123 T 8.34 4.43 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 1.14 0.00 0.00 124 F 8.56 5.32 0.00 2.90 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 0.00 125 E 9.11 4.75 0.00 2.08 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 1.86 2.14 0.00 126 T 7.98 4.39 4.11 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 1.04 0.00 0.00 127 Y 8.05 4.88 0.00 2.95 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 0.00 128 S 7.80 4.75 0.00 4.05 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 0.00 129 P 0.00 4.33 0.00 2.22 2.18 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 130 K 7.63 3.94 0.00 1.74 1.66 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.81 1.23 7.81 131 Y 7.86 4.49 0.00 3.00 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 0.00 132 K 7.95 4.00 0.00 1.85 1.90 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.62 7.81 133 W 8.51 4.49 0.00 3.74 3.42 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 0.00 134 M 7.12 3.92 0.00 1.26 1.77 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.81 0.00 135 M 7.81 4.59 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.82 0.00 136 N 8.02 5.14 0.00 2.83 2.79 0.00 0.00 6.68 7.57 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 0.00 137 H 8.26 5.00 0.00 2.88 2.96 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 7.96 4.55 1.88 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 0.92 0.95 0.00 0.00 139 F 8.90 5.47 0.00 2.99 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 0.00 140 V 8.88 4.64 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 0.77 0.00 0.00 0.92 0.00 0.00 141 C 8.77 4.99 0.00 2.22 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 0.00 142 C 8.75 4.66 0.00 2.96 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 0.00 143 A 7.86 4.92 -0.25 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 0.00 144 S 8.71 4.70 0.00 3.86 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 0.00 145 R 8.88 4.75 0.00 1.48 1.78 0.00 3.39 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.12 0.00 146 L 8.16 4.44 0.00 1.68 1.65 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 *149 N 7.57 5.00 0.00 2.69 2.79 0.00 0.00 6.42 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 0.00 150 V 8.56 4.94 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 151 L 8.94 5.05 0.00 1.75 1.52 0.93 0.65 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 0.00 152 L 8.94 4.86 0.00 1.67 1.10 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.77 4.63 0.00 1.56 1.29 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.31 7.81 154 F 8.60 4.89 0.00 1.85 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 0.00 155 Y 9.23 5.18 0.00 2.84 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 0.00 156 K 9.37 4.13 0.00 2.07 1.75 0.00 1.35 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.07 7.81 157 I 8.42 4.33 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 1.37 0.93 1.00 0.00 0.00 158 S 8.94 4.44 0.00 3.74 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.