NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 A 4.2587 8.2601 123.5764 51.8038 19.4082 176.4984 26 A 3.6450 8.5843 126.7884 54.1254 18.5364 176.5331 27 F 4.9635 7.1998 114.1138 56.0661 41.9746 172.6583 28 H 4.6176 8.2595 119.2891 54.5796 30.5130 173.3217 29 G 3.8328 8.5434 109.3880 44.7310 0.0000 172.9798 30 E 3.9548 8.6066 120.3610 56.2779 29.9563 176.2110 31 V 4.4059 8.3409 124.6364 61.0981 33.9392 174.8325 32 V 4.4828 8.0828 119.5393 58.9312 34.6968 175.3573 33 R 3.9843 8.4104 122.8280 55.7515 30.2276 174.9529 34 P 4.3809 0.0000 0.0000 62.0467 32.1231 175.9423 35 A 4.0667 7.9741 121.9209 51.7392 19.2425 178.1143 36 C 4.7445 9.4238 117.9742 57.4279 39.5660 173.4554 37 T 4.6027 9.0536 118.3404 60.7316 68.9978 173.0403 38 L 4.9325 8.5328 130.1662 54.1713 43.2977 175.2680 39 A 4.8597 9.1666 128.2506 50.4486 21.8803 174.8295 40 M 5.0232 8.5553 122.3899 53.8319 35.9109 176.4993 41 E 4.0601 8.9802 115.6104 58.8777 30.2650 176.2304 42 D 4.7718 7.9545 119.6045 52.5645 42.1149 176.8800 43 A 3.9726 8.8148 129.3685 54.5581 18.4524 177.8890 44 W 4.2891 8.8979 113.9758 56.1202 29.7700 176.0602 45 Q 3.5221 7.8709 116.6579 57.2505 26.1420 173.5383 46 I 4.4138 7.9333 116.3153 59.4829 39.7390 175.6081 47 I 4.2324 7.8402 124.8038 59.1446 38.4620 174.9926 48 D 4.3242 8.5751 125.8805 54.5203 41.1427 175.7664 49 M 4.1109 8.5674 126.3844 55.4994 32.6054 177.4308 50 G 3.9493 8.2368 108.4492 44.9198 0.0000 173.7347 51 E 4.1320 8.4119 114.3523 55.6452 30.1455 175.7541 52 T 4.0540 8.6505 117.0844 64.1781 69.4491 174.3889 53 P 4.6390 0.0000 0.0000 61.4943 28.4306 176.8890 54 V 3.6117 7.7177 124.6823 67.6539 32.0537 177.2688 55 R 3.9665 8.0736 119.4303 61.8718 29.2462 180.0038 56 D 4.7332 8.1662 119.1249 57.2544 40.8214 179.0148 57 L 4.4412 8.0841 120.7437 57.5869 41.4552 179.6182 58 Q 4.0133 8.0683 116.7588 58.8332 28.6604 177.9362 59 N 4.5872 7.8265 114.1960 53.3024 38.4266 175.8852 60 G 3.6173 7.7823 108.5007 45.5907 0.0000 173.5542 61 F 5.0332 7.4358 118.8455 55.5723 41.7861 175.3923 62 S 4.7289 8.6650 115.5385 57.6337 64.4663 173.7326 63 G 4.0935 8.7755 109.1883 44.7871 0.0000 171.6896 64 P 4.6486 0.0000 0.0000 62.7777 32.0657 175.8892 65 E 4.6360 8.5940 120.1420 55.9723 31.0510 176.3027 66 R 4.6402 9.2398 124.5458 54.8376 33.4411 175.6516 67 K 4.8531 8.8332 128.4268 54.9816 32.7779 172.8753 68 F 5.0614 9.3233 119.4072 54.5376 41.5672 173.2023 69 S 4.9574 8.9126 116.3249 56.4856 64.5043 172.7433 70 L 4.6428 8.9095 127.3239 53.0233 43.9212 175.2294 71 R 4.4041 8.9474 125.6904 54.9224 31.9180 174.9798 72 L 4.9763 7.5401 126.2311 53.5613 42.6317 176.0664 73 R 4.5609 8.9007 123.6670 55.1987 33.2860 177.0743 74 N 4.3558 9.0660 117.8020 54.2671 37.5345 173.2668 75 C 4.9493 8.1662 108.8269 54.7343 42.6114 173.5791 76 E 3.7504 8.3511 117.6860 57.2650 26.7833 174.6349 77 F 4.3322 8.3117 122.5629 61.1204 40.0472 174.3691 78 N 5.0775 8.1435 116.1939 51.8865 40.0608 174.0083 79 S 4.7604 8.9612 118.4187 56.7487 66.5779 175.5840 80 Q 4.0922 8.9369 118.1303 58.2130 27.5890 175.5971 81 G 3.9234 7.9569 105.3798 46.5877 0.0000 174.4638 82 G 4.0128 7.3250 110.0464 44.5552 0.0000 172.3786 83 N 4.9812 7.9511 120.4687 50.2795 41.3963 175.2746 84 L 3.8368 7.6930 121.7552 57.9520 41.6506 179.8062 85 F 4.0724 7.6069 119.8645 61.5740 39.4974 177.3382 86 S 4.1012 8.1499 114.1218 61.1654 62.4592 175.3998 87 D 4.5733 7.7127 119.0602 53.7055 40.8585 176.7745 88 S 3.7297 7.4325 114.4036 59.5243 60.9131 172.5611 89 R 4.2937 7.8656 122.5069 57.8935 30.8288 176.4523 90 I 4.8453 7.6367 110.5256 58.8421 40.9569 175.1841 91 R 4.6559 8.7515 121.9151 54.5118 33.5996 174.9705 92 V 5.1703 8.3335 115.6186 59.1314 34.7649 174.7681 93 T 4.8683 7.4812 118.8170 61.9574 73.1993 172.6498 94 F 5.1459 8.9590 124.2808 56.6429 40.7833 174.2313 95 D 5.1791 9.0644 124.8689 52.9755 42.9099 176.8160 96 G 4.2109 8.2180 109.3093 45.8910 0.0000 171.3614 97 V 4.1832 7.9307 119.5732 61.2885 32.9052 176.6437 98 R 4.0255 8.7023 128.7044 55.8189 30.5365 176.2481 99 G 4.1362 8.5081 114.5952 46.1351 0.0000 175.1911 100 E 4.1341 9.1893 124.3217 58.3392 29.9834 176.4108 101 T 4.7010 7.4098 107.0971 58.4046 72.0605 172.7856 102 P 4.1667 0.0000 0.0000 66.0011 31.1515 177.5331 103 D 4.7484 7.5472 114.9907 54.7061 40.9329 175.9010 104 K 5.0049 7.7968 118.5679 54.6423 36.5009 175.1742 105 F 5.1599 9.2766 121.8970 55.7158 41.5964 175.0585 106 N 4.8768 9.3516 121.3902 53.6228 39.6784 174.1282 107 L 4.9575 8.3080 122.6671 53.1417 45.4405 176.6793 108 S 4.4391 8.7390 119.0985 57.7366 65.2835 172.9096 109 G 4.1287 8.8192 108.4829 45.1324 0.0000 173.6956 110 Q 4.3132 8.2031 117.7672 57.8908 28.5226 172.9503 111 A 4.5225 8.2530 120.6641 53.1813 19.4690 177.5655 112 K 4.4929 8.9280 121.8539 54.3828 36.8829 178.5973 113 G 4.3059 9.2549 108.6531 46.4856 0.0000 172.7045 114 I 5.0308 7.2698 111.2617 58.9753 40.6199 174.0307 115 N 5.2531 9.1911 120.8571 51.5781 43.4139 172.5725 116 L 5.2002 8.8498 121.0730 53.4785 45.5352 174.7533 117 Q 5.0436 9.1412 125.1903 54.3489 32.7248 173.8157 118 I 5.1197 8.4928 125.4669 59.4622 40.3493 174.2753 119 A 5.3326 9.1800 128.2610 50.2456 22.9388 175.3639 120 D 4.9243 8.8579 120.3513 52.0331 42.0667 177.6208 121 V 3.7294 8.3928 110.7048 63.5620 31.4863 177.2787 122 R 4.3913 8.3828 117.0275 55.6942 30.6007 176.6328 123 G 3.9382 8.6221 106.7642 45.3750 0.0000 173.5305 124 N 4.4708 8.7304 118.7586 53.0995 38.8307 174.0870 125 I 4.6942 8.3384 124.4604 60.1828 38.1350 175.7845 126 A 4.3561 9.2430 130.1467 52.4104 19.1689 176.7458 127 R 4.7836 8.9071 119.5533 52.8558 33.5199 175.4145 128 A 4.2843 8.0210 125.6155 54.2365 18.3879 177.9607 129 G 4.0845 9.3116 111.4513 45.4344 0.0000 173.0112 130 K 4.6289 7.7667 119.1380 53.8672 34.1952 176.4586 131 V 4.0840 8.1509 123.1871 61.3542 31.9512 175.9659 132 M 4.5735 9.0335 125.4246 54.6163 32.5805 174.6319 133 P 4.5353 0.0000 0.0000 62.3793 32.6891 175.9257 134 A 3.4334 8.4039 125.6468 51.9327 18.5863 176.9464 135 I 4.7780 8.0354 115.7539 58.2881 41.0113 173.2315 136 P 4.7777 0.0000 0.0000 61.6595 32.2776 175.7640 137 L 4.5556 8.2433 119.7646 53.9585 43.2030 176.1164 138 T 4.4790 8.1916 110.4444 60.2552 71.0907 173.6884 139 G 3.8393 9.0483 109.4575 49.9482 0.0000 175.1823 140 N 4.2675 7.8400 115.1828 53.6810 34.7595 177.4462 141 E 4.4575 7.5993 119.2996 55.8572 31.1481 177.7872 142 E 4.6184 8.5947 114.8778 57.6402 29.6179 174.9061 143 A 4.8499 7.6642 117.4204 49.3922 22.1636 176.3123 144 L 4.0810 8.4616 121.8255 53.8125 43.2919 175.5040 145 D 4.9939 7.9159 123.2346 52.5286 43.2442 175.0913 146 Y 4.7894 8.1413 120.0990 56.2573 42.6121 174.4649 147 T 5.2268 9.0619 118.1284 61.7293 72.0209 173.2354 148 L 5.5330 9.2621 126.7257 54.2650 43.8475 175.4785 149 R 4.9588 8.6449 115.3878 55.1086 33.3813 173.8268 150 I 4.6100 8.3351 121.3844 60.9457 38.9454 175.2562 151 V 4.8442 8.6555 118.6811 59.2185 36.2769 175.1424 152 R 4.6166 8.5771 120.6150 56.2636 30.7796 176.5251 153 N 4.7650 8.9304 118.2356 52.6413 38.1363 176.3656 154 G 3.8111 8.7601 111.3746 46.2784 0.0000 174.9378 155 K 4.3308 7.8747 122.3535 53.7415 32.9310 182.2433 156 K 4.2933 8.2413 121.2669 55.9911 32.3598 176.7456 157 L 4.2523 8.5887 124.9951 54.5020 42.3256 176.4715 158 E 4.6277 8.8106 124.0023 54.0758 31.9955 175.8756 159 A 4.4324 8.8941 126.5309 51.3208 19.6185 176.6729 160 G 3.9727 6.9649 107.3949 45.5782 0.0000 171.3698 161 N 4.9704 7.9670 116.6449 52.3627 40.1131 174.4226 162 Y 5.3913 8.1033 122.4000 56.3225 41.7982 174.8409 *163 F 4.8751 8.8361 117.5976 56.6730 42.9318 173.1117 164 A 4.9710 8.3167 119.8538 51.1385 22.2626 175.9529 165 V 4.0738 8.4161 120.9765 61.4778 32.5192 174.9797 166 L 4.8019 8.3307 127.2482 52.8195 43.8718 176.4906 167 G 3.8645 9.1589 111.5796 46.0241 0.0000 172.2372 168 F 5.1508 8.8909 126.7248 56.3631 41.4874 174.1618 169 R 4.3128 8.6027 128.3479 54.6614 31.7125 175.0151 170 V 4.2444 8.2192 127.1666 61.5614 32.5576 174.4761 171 D 4.8237 8.9057 129.7534 53.3987 42.3072 175.3948 172 Y 4.5154 8.6802 121.7172 56.6255 39.3551 175.5486 173 E 4.2473 8.8825 123.0368 56.6817 29.1926 176.8508 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 25 A 8.26 4.26 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 26 A 8.58 3.65 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.20 4.96 0.00 3.02 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 28 H 8.26 4.62 0.00 3.19 3.29 0.00 5.73 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 29 G 8.54 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 0.00 0.00 0.00 30 E 8.61 3.95 0.00 1.95 1.90 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 2.30 2.32 0.00 31 V 8.34 4.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.02 0.00 0.00 32 V 8.08 4.48 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 0.78 0.00 0.00 0.92 0.00 0.00 33 R 8.41 3.98 0.00 1.79 1.87 0.00 3.32 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 34 P 0.00 4.38 0.00 2.18 1.95 0.00 3.75 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 2.15 2.08 0.00 35 A 7.97 4.07 0.76 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 0.00 0.00 36 C 9.42 4.74 0.00 3.05 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 37 T 9.05 4.60 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 38 L 8.53 4.93 0.00 1.77 1.60 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 A 9.17 4.86 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 M 8.56 5.02 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 41 E 8.98 4.06 0.00 1.98 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 2.23 1.87 0.00 42 D 7.95 4.77 0.00 2.72 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 43 A 8.81 3.97 1.10 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 44 W 8.90 4.29 0.00 3.65 3.14 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 45 Q 7.87 3.52 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 46 I 7.93 4.41 2.13 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 1.37 0.60 0.84 0.00 0.00 47 I 7.84 4.23 1.63 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.29 0.88 0.00 0.00 48 D 8.58 4.32 0.00 2.57 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 49 M 8.57 4.11 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.47 0.00 50 G 8.24 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 0.00 0.00 0.00 51 E 8.41 4.13 0.00 2.00 1.76 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 2.23 1.91 0.00 52 T 8.65 4.05 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 1.18 0.00 0.00 53 P 0.00 4.64 0.00 2.29 2.26 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 54 V 7.72 3.61 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 1.09 0.00 0.00 0.94 0.00 0.00 55 R 8.07 3.97 0.00 1.85 1.94 0.00 3.32 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.31 0.00 56 D 8.17 4.73 0.00 2.90 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 57 L 8.08 4.44 0.00 1.91 1.70 1.02 0.98 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 58 Q 8.07 4.01 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.15 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 59 N 7.83 4.59 0.00 2.80 2.78 0.00 0.00 7.09 7.46 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 60 G 7.78 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 61 F 7.44 5.03 0.00 3.23 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 62 S 8.66 4.73 0.00 4.06 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 63 G 8.78 4.09 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 0.00 0.00 0.00 64 P 0.00 4.65 0.00 2.10 2.08 0.00 3.80 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 2.02 2.02 0.00 65 E 8.59 4.64 0.00 1.88 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 2.31 2.35 0.00 66 R 9.24 4.64 0.00 1.70 1.86 0.00 3.30 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 67 K 8.83 4.85 0.00 1.54 1.59 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 68 F 9.32 5.06 0.00 3.03 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 69 S 8.91 4.96 0.00 3.83 3.74 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 70 L 8.91 4.64 0.00 1.39 1.36 -0.18 0.79 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 71 R 8.95 4.40 0.00 1.78 1.71 0.00 3.01 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 72 L 7.54 4.98 0.00 1.09 1.54 1.02 0.95 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 73 R 8.90 4.56 0.00 1.71 1.80 0.00 3.19 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 74 N 9.07 4.36 0.00 2.88 2.98 0.00 0.00 6.86 7.65 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 75 C 8.17 4.95 0.00 3.27 3.28 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 76 E 8.35 3.75 0.00 2.14 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 2.27 2.31 0.00 77 F 8.31 4.33 0.00 3.20 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 78 N 8.14 5.08 0.00 2.83 2.75 0.00 0.00 6.65 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 79 S 8.96 4.76 0.00 3.87 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 80 Q 8.94 4.09 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 81 G 7.96 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 0.00 0.00 0.00 82 G 7.32 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 83 N 7.95 4.98 0.00 1.95 2.63 0.00 0.00 5.98 6.67 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 84 L 7.69 3.84 0.00 1.63 1.76 1.19 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 85 F 7.61 4.07 0.00 3.44 3.25 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 86 S 8.15 4.10 0.00 3.87 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 87 D 7.71 4.57 0.00 2.58 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 88 S 7.43 3.73 0.00 3.95 3.88 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 89 R 7.87 4.29 0.00 1.87 1.97 0.00 2.99 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 90 I 7.64 4.85 1.50 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.51 0.00 0.00 91 R 8.75 4.66 0.00 1.63 1.75 0.00 3.02 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 92 V 8.33 5.17 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 0.74 0.00 0.00 1.13 0.00 0.00 93 T 7.48 4.87 4.13 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 1.29 0.00 0.00 94 F 8.96 5.15 0.00 3.24 2.93 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 0.00 0.00 0.00 95 D 9.06 5.18 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 96 G 8.22 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 97 V 7.93 4.18 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 0.96 0.00 0.00 0.98 0.00 0.00 98 R 8.70 4.03 0.00 1.99 1.74 0.00 3.39 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.22 0.00 99 G 8.51 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 0.00 100 E 9.19 4.13 0.00 1.92 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 2.27 2.28 0.00 101 T 7.41 4.70 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 1.20 0.00 0.00 102 P 0.00 4.17 0.00 2.20 2.32 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 103 D 7.55 4.75 0.00 2.80 2.77 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 0.00 104 K 7.80 5.00 0.00 1.64 1.65 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 105 F 9.28 5.16 0.00 2.98 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 0.00 106 N 9.35 4.88 0.00 2.93 2.77 0.00 0.00 6.95 7.77 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 0.00 107 L 8.31 4.96 0.00 1.53 1.60 0.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.74 4.44 0.00 3.83 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 0.00 109 G 8.82 4.13 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 0.00 0.00 0.00 110 Q 8.20 4.31 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 111 A 8.25 4.52 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 0.00 112 K 8.93 4.49 0.00 1.38 1.60 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.25 7.81 113 G 9.25 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 0.00 0.00 0.00 114 I 7.27 5.03 1.64 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.77 0.00 0.00 115 N 9.19 5.25 0.00 2.58 2.79 0.00 0.00 6.40 6.30 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 0.00 116 L 8.85 5.20 0.00 1.74 1.56 0.71 0.69 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 0.00 117 Q 9.14 5.04 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.59 0.00 118 I 8.49 5.12 1.50 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.19 0.29 0.00 0.00 119 A 9.18 5.33 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 0.00 120 D 8.86 4.92 0.00 2.88 3.17 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 0.00 121 V 8.39 3.73 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 0.61 0.00 0.00 0.89 0.00 0.00 122 R 8.38 4.39 0.00 1.82 1.96 0.00 3.25 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 123 G 8.62 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 0.00 124 N 8.73 4.47 0.00 3.21 2.87 0.00 0.00 7.01 8.04 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 0.00 125 I 8.34 4.69 1.93 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 1.33 0.80 1.09 0.00 0.00 126 A 9.24 4.36 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 0.00 127 R 8.91 4.78 0.00 1.78 1.77 0.00 3.46 0.00 0.00 3.33 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 128 A 8.02 4.28 0.95 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 0.00 0.00 129 G 9.31 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 0.00 130 K 7.77 4.63 0.00 1.94 1.77 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.40 7.81 131 V 8.15 4.08 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 0.89 0.00 0.00 0.97 0.00 0.00 132 M 9.03 4.57 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.90 0.00 133 P 0.00 4.54 0.00 2.12 2.09 0.00 3.94 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 134 A 8.40 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.04 4.78 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.95 1.00 0.00 0.00 136 P 0.00 4.78 0.00 2.23 2.10 0.00 3.41 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 137 L 8.24 4.56 0.00 1.73 1.67 1.26 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.19 4.48 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 0.00 139 G 9.05 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 0.00 0.00 0.00 140 N 7.84 4.27 0.00 2.84 3.08 0.00 0.00 6.79 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 0.00 141 E 7.60 4.46 0.00 1.97 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 2.25 2.11 0.00 142 E 8.59 4.62 0.00 2.05 1.90 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 2.26 2.26 0.00 143 A 7.66 4.85 1.08 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 0.00 144 L 8.46 4.08 0.00 1.46 1.29 0.97 0.72 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 0.00 145 D 7.92 4.99 0.00 2.22 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 0.00 0.00 0.00 0.00 146 Y 8.14 4.79 0.00 1.43 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 9.06 5.23 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 148 L 9.26 5.53 0.00 1.81 1.82 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.64 4.96 0.00 2.04 2.04 0.00 2.79 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 150 I 8.34 4.61 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.72 0.00 0.00 151 V 8.66 4.84 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 0.78 0.00 0.00 0.97 0.00 0.00 152 R 8.58 4.62 0.00 1.68 1.83 0.00 3.13 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 153 N 8.93 4.76 0.00 2.75 3.10 0.00 0.00 7.19 6.63 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 0.00 154 G 8.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.87 4.33 0.00 1.79 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 1.00 7.81 156 K 8.24 4.29 0.00 1.54 1.63 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.04 7.81 157 L 8.59 4.25 0.00 1.49 1.65 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.81 4.63 0.00 1.90 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 2.20 2.22 0.00 159 A 8.89 4.43 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 0.00 160 G 6.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 N 7.97 4.97 0.00 2.65 2.67 0.00 0.00 6.35 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 0.00 162 Y 8.10 5.39 0.00 2.99 2.83 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 *163 F 8.84 4.88 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.32 4.97 1.22 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 0.00 0.00 0.00 165 V 8.42 4.07 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 0.89 0.00 0.00 0.95 0.00 0.00 166 L 8.33 4.80 0.00 1.55 1.65 0.36 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 167 G 9.16 3.86 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 0.00 0.00 0.00 168 F 8.89 5.15 0.00 2.87 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 0.00 169 R 8.60 4.31 0.00 1.91 1.61 0.00 3.36 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 170 V 8.22 4.24 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 0.34 0.00 0.00 0.84 0.00 0.00 171 D 8.91 4.82 0.00 2.51 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 8.68 4.52 0.00 2.88 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 0.00 173 E 8.88 4.25 0.00 1.95 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 2.40 2.55 0.00 * Residues marked with a * may have inaccurate shift predictions.